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

C14H12ClFN6O3S — CID 155708783

IUPACN-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
SMILESN#Cc1n[nH]c2c(NS(=O)(=O)c3cnn([C@H](CO)CF)c3)ccc(Cl)c12
InChIInChI=1S/C14H12ClFN6O3S/c15-10-1-2-11(14-13(10)12(4-17)19-20-14)21-26(24,25)9-5-18-22(6-9)8(3-16)7-23/h1-2,5-6,8,21,23H,3,7H2,(H,19,20)/t8-/m0/s1
InChIKeySLHMRLRTBPGZPT-QMMMGPOBSA-N
MW398.81 g/mol
LogP1.59
Rot. Bonds6

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

N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 155708783) has the molecular formula C14H12ClFN6O3S and a molecular weight of 398.81 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
PubChem CID155708783
Molecular FormulaC14H12ClFN6O3S
Molecular Weight398.81 g/mol
Exact Mass398.04
IUPAC NameN-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
SMILESN#Cc1n[nH]c2c(NS(=O)(=O)c3cnn([C@H](CO)CF)c3)ccc(Cl)c12
InChIInChI=1S/C14H12ClFN6O3S/c15-10-1-2-11(14-13(10)12(4-17)19-20-14)21-26(24,25)9-5-18-22(6-9)8(3-16)7-23/h1-2,5-6,8,21,23H,3,7H2,(H,19,20)/t8-/m0/s1
InChIKeySLHMRLRTBPGZPT-QMMMGPOBSA-N
XLogP1.59
TPSA136.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide
CID 155193550
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155708755
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193428
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526
N-(3-cyano-4-fluoro-1H-indazol-7-yl)-4-(3-hydroxy-3-methylbutoxy)benzenesulfonamide
CID 171805007
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide (CID 155708783) is N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide is N#Cc1n[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-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is SLHMRLRTBPGZPT-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12ClFN6O3S/c15-10-1-2-11(14-13(10)12(4-17)19-20-14)21-26(24,25)9-5-18-22(6-9)8(3-16)7-23/h1-2,5-6,8,21,23H,3,7H2,(H,19,20)/t8-/m0/s1.
What are the key properties of N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide?
N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 398.81 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155708783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).