N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide

C15H13F2N5O3S — CID 155193425

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(C(F)(F)CO)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H13F2N5O3S/c1-9-2-3-12(14-13(9)10(4-18)5-19-14)21-26(24,25)11-6-20-22(7-11)15(16,17)8-23/h2-3,5-7,19,21,23H,8H2,1H3
InChIKeyHSDVYHCCTWVELT-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.89
Rot. Bonds5

About N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide (PubChem CID 155193425) has the molecular formula C15H13F2N5O3S and a molecular weight of 381.36 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
PubChem CID155193425
Molecular FormulaC15H13F2N5O3S
Molecular Weight381.36 g/mol
Exact Mass381.07
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(C(F)(F)CO)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H13F2N5O3S/c1-9-2-3-12(14-13(9)10(4-18)5-19-14)21-26(24,25)11-6-20-22(7-11)15(16,17)8-23/h2-3,5-7,19,21,23H,8H2,1H3
InChIKeyHSDVYHCCTWVELT-UHFFFAOYSA-N
XLogP1.89
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969209
4-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 126574723
N-(5,6-difluoro-1H-indol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 155009404
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-cyano-4-fluoro-1H-indol-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 155193256
N-(3-cyano-4-fluoro-1H-indol-7-yl)-3-fluoro-1-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 155193259
1-[(2S)-2-amino-3,3,3-trifluoropropyl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 155193268
1-(2-amino-3,3,3-trifluoropropyl)-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 155193271
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-fluoro-1-(oxetan-3-yl)pyrazole-4-sulfonamide
CID 155193273
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2-fluoroethyl)pyrazole-4-sulfonamide
CID 155193276
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193278

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide (CID 155193425) is N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(C(F)(F)CO)c2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
The InChIKey is HSDVYHCCTWVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O3S/c1-9-2-3-12(14-13(9)10(4-18)5-19-14)21-26(24,25)11-6-20-22(7-11)15(16,17)8-23/h2-3,5-7,19,21,23H,8H2,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide has a molecular weight of 381.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1,1-difluoro-2-hydroxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).