1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide

C15H12ClF3N6O2S — CID 155193271

IUPAC1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(CC(N)C(F)(F)F)c3)ccc(Cl)c12
InChIInChI=1S/C15H12ClF3N6O2S/c16-10-1-2-11(14-13(10)8(3-20)4-22-14)24-28(26,27)9-5-23-25(6-9)7-12(21)15(17,18)19/h1-2,4-6,12,22,24H,7,21H2
InChIKeyFKFYQTLTYZDIBC-UHFFFAOYSA-N
MW432.82 g/mol
LogP2.58
Rot. Bonds5

About 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide

1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide (PubChem CID 155193271) has the molecular formula C15H12ClF3N6O2S and a molecular weight of 432.82 g/mol. Its IUPAC name is 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
PubChem CID155193271
Molecular FormulaC15H12ClF3N6O2S
Molecular Weight432.82 g/mol
Exact Mass432.04
IUPAC Name1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(CC(N)C(F)(F)F)c3)ccc(Cl)c12
InChIInChI=1S/C15H12ClF3N6O2S/c16-10-1-2-11(14-13(10)8(3-20)4-22-14)24-28(26,27)9-5-23-25(6-9)7-12(21)15(17,18)19/h1-2,4-6,12,22,24H,7,21H2
InChIKeyFKFYQTLTYZDIBC-UHFFFAOYSA-N
XLogP2.58
TPSA129.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.82
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(1-(2-chloroethyl)-5-cyano-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176489959
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176710968
5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507637
N-(4-chloro-1H-indol-7-yl)-4-cyanobenzenesulfonamide
CID 44273611
1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide
CID 177376338
N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide
CID 139366202
N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969395
1-(4-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-sulfonamide
CID 154653187
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(3,3-difluorocyclobutyl)pyrazole-4-sulfonamide
CID 155193238
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193241
N-(3-chloro-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
CID 155193252

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide (CID 155193271) is 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(CC(N)C(F)(F)F)c3)ccc(Cl)c12.
What is the InChIKey of 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is FKFYQTLTYZDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N6O2S/c16-10-1-2-11(14-13(10)8(3-20)4-22-14)24-28(26,27)9-5-23-25(6-9)7-12(21)15(17,18)19/h1-2,4-6,12,22,24H,7,21H2.
What are the key properties of 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide?
1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 432.82 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).