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

C14H11F2N5O3S — CID 155193241

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(C(F)CO)c3)ccc(F)c12
InChIInChI=1S/C14H11F2N5O3S/c15-10-1-2-11(14-13(10)8(3-17)4-18-14)20-25(23,24)9-5-19-21(6-9)12(16)7-22/h1-2,4-6,12,18,20,22H,7H2
InChIKeyNDWGHTYZBGBZMD-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.64
Rot. Bonds5

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

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide (PubChem CID 155193241) has the molecular formula C14H11F2N5O3S and a molecular weight of 367.34 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
PubChem CID155193241
Molecular FormulaC14H11F2N5O3S
Molecular Weight367.34 g/mol
Exact Mass367.06
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(C(F)CO)c3)ccc(F)c12
InChIInChI=1S/C14H11F2N5O3S/c15-10-1-2-11(14-13(10)8(3-17)4-18-14)20-25(23,24)9-5-19-21(6-9)12(16)7-22/h1-2,4-6,12,18,20,22H,7H2
InChIKeyNDWGHTYZBGBZMD-UHFFFAOYSA-N
XLogP1.64
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide (CID 155193241) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(C(F)CO)c3)ccc(F)c12.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
The InChIKey is NDWGHTYZBGBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O3S/c15-10-1-2-11(14-13(10)8(3-17)4-18-14)20-25(23,24)9-5-19-21(6-9)12(16)7-22/h1-2,4-6,12,18,20,22H,7H2.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide has a molecular weight of 367.34 g/mol, XLogP of 1.64, 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-fluoro-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).