5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide

C13H11ClN6O2S — CID 155193606

IUPAC5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1N
InChIInChI=1S/C13H11ClN6O2S/c1-20-13(16)10(6-18-20)23(21,22)19-9-3-2-8(14)11-7(4-15)5-17-12(9)11/h2-3,5-6,17,19H,16H2,1H3
InChIKeyZMNZKTYDFQARIK-UHFFFAOYSA-N
MW350.79 g/mol
LogP1.81
Rot. Bonds3

About 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide

5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 155193606) has the molecular formula C13H11ClN6O2S and a molecular weight of 350.79 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID155193606
Molecular FormulaC13H11ClN6O2S
Molecular Weight350.79 g/mol
Exact Mass350.04
IUPAC Name5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1N
InChIInChI=1S/C13H11ClN6O2S/c1-20-13(16)10(6-18-20)23(21,22)19-9-3-2-8(14)11-7(4-15)5-17-12(9)11/h2-3,5-6,17,19H,16H2,1H3
InChIKeyZMNZKTYDFQARIK-UHFFFAOYSA-N
XLogP1.81
TPSA129.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.79
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide
CID 155193473
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 177228426
5-amino-N-(4-fluoro-3-isocyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 164779227
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide (CID 155193606) is 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide is Cn1ncc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1N.
What is the InChIKey of 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZMNZKTYDFQARIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O2S/c1-20-13(16)10(6-18-20)23(21,22)19-9-3-2-8(14)11-7(4-15)5-17-12(9)11/h2-3,5-6,17,19H,16H2,1H3.
What are the key properties of 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide?
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 350.79 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 155193606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).