5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

C15H14F2N6O2S — CID 155193520

IUPAC5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2N)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H14F2N6O2S/c1-8-2-3-10(14-13(8)9(4-18)5-20-14)22-26(24,25)11-6-21-23(15(11)19)7-12(16)17/h2-3,5-6,12,20,22H,7,19H2,1H3
InChIKeyXMVXNAZICBFLQJ-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.19
Rot. Bonds5

About 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (PubChem CID 155193520) has the molecular formula C15H14F2N6O2S and a molecular weight of 380.38 g/mol. Its IUPAC name is 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
PubChem CID155193520
Molecular FormulaC15H14F2N6O2S
Molecular Weight380.38 g/mol
Exact Mass380.09
IUPAC Name5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2N)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H14F2N6O2S/c1-8-2-3-10(14-13(8)9(4-18)5-20-14)22-26(24,25)11-6-21-23(15(11)19)7-12(16)17/h2-3,5-6,12,20,22H,7,19H2,1H3
InChIKeyXMVXNAZICBFLQJ-UHFFFAOYSA-N
XLogP2.19
TPSA129.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193606
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
N-(4-chloro-3-cyano-1H-indol-7-yl)-5-(difluoromethyl)-1-methylpyrazole-4-sulfonamide
CID 155193473
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193428

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (CID 155193520) is 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2N)c2[nH]cc(C#N)c12.
What is the InChIKey of 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is XMVXNAZICBFLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2S/c1-8-2-3-10(14-13(8)9(4-18)5-20-14)22-26(24,25)11-6-21-23(15(11)19)7-12(16)17/h2-3,5-6,12,20,22H,7,19H2,1H3.
What are the key properties of 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 380.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).