K2S

N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide

Created:	2018-10-25
Last modified:	2018-12-19

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3 entries where K2S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	5

2D diagram of K2S

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Chemical Component Summary
Name	N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N},~{N},3,5-tetramethyl-1~{H}-pyrazole-4-sulfonamide
Formula	C₇ H₁₃ N₃ O₂ S
Molecular Weight	203.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1nc(C)c(c1C)S(N(C)C)(=O)=O
SMILES	CACTVS	3.385	CN(C)[S](=O)(=O)c1c(C)[nH]nc1C
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C
Canonical SMILES	CACTVS	3.385	CN(C)[S](=O)(=O)c1c(C)[nH]nc1C
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C
InChI	InChI	1.03	InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)
InChIKey	InChI	1.03	YJCZGTAEFYFJRJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4962643

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