N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide

C15H13ClFN5O3S — CID 155193280

IUPACN-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn([C@@H](CO)CF)c3)ccc(Cl)c12
InChIInChI=1S/C15H13ClFN5O3S/c16-12-1-2-13(15-14(12)9(4-18)5-19-15)21-26(24,25)11-6-20-22(7-11)10(3-17)8-23/h1-2,5-7,10,19,21,23H,3,8H2/t10-/m1/s1
InChIKeyIYSJLAZTJWKMQZ-SNVBAGLBSA-N
MW397.82 g/mol
LogP2.19
Rot. Bonds6

About N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide

N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 155193280) has the molecular formula C15H13ClFN5O3S and a molecular weight of 397.82 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
PubChem CID155193280
Molecular FormulaC15H13ClFN5O3S
Molecular Weight397.82 g/mol
Exact Mass397.04
IUPAC NameN-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn([C@@H](CO)CF)c3)ccc(Cl)c12
InChIInChI=1S/C15H13ClFN5O3S/c16-12-1-2-13(15-14(12)9(4-18)5-19-15)21-26(24,25)11-6-20-22(7-11)10(3-17)8-23/h1-2,5-7,10,19,21,23H,3,8H2/t10-/m1/s1
InChIKeyIYSJLAZTJWKMQZ-SNVBAGLBSA-N
XLogP2.19
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide (CID 155193280) is N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3cnn([C@@H](CO)CF)c3)ccc(Cl)c12.
What is the InChIKey of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is IYSJLAZTJWKMQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClFN5O3S/c16-12-1-2-13(15-14(12)9(4-18)5-19-15)21-26(24,25)11-6-20-22(7-11)10(3-17)8-23/h1-2,5-7,10,19,21,23H,3,8H2/t10-/m1/s1.
What are the key properties of N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 397.82 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155193280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).