[1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol

C19H19ClF2N4O3S — CID 134362385

IUPAC[1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CC(F)(F)CC2CO)ccc1-c1ccc2[nH]nc(N)c2c1Cl
InChIInChI=1S/C19H19ClF2N4O3S/c1-10-6-12(30(28,29)26-9-19(21,22)7-11(26)8-27)2-3-13(10)14-4-5-15-16(17(14)20)18(23)25-24-15/h2-6,11,27H,7-9H2,1H3,(H3,23,24,25)
InChIKeyJTMBJJAVYKJCMG-UHFFFAOYSA-N
MW456.90 g/mol
LogP3.16
Rot. Bonds4

About [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol

[1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 134362385) has the molecular formula C19H19ClF2N4O3S and a molecular weight of 456.90 g/mol. Its IUPAC name is [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
PubChem CID134362385
Molecular FormulaC19H19ClF2N4O3S
Molecular Weight456.90 g/mol
Exact Mass456.08
IUPAC Name[1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CC(F)(F)CC2CO)ccc1-c1ccc2[nH]nc(N)c2c1Cl
InChIInChI=1S/C19H19ClF2N4O3S/c1-10-6-12(30(28,29)26-9-19(21,22)7-11(26)8-27)2-3-13(10)14-4-5-15-16(17(14)20)18(23)25-24-15/h2-6,11,27H,7-9H2,1H3,(H3,23,24,25)
InChIKeyJTMBJJAVYKJCMG-UHFFFAOYSA-N
XLogP3.16
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.90
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362223
[(2S)-1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-chlorophenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362007
1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidine-2-carboxamide
CID 134362219
[(2S)-1-[4-(7-amino-5H-pyrrolo[3,4-b]pyridin-2-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 157074097
1-[(2S)-1-[4-(3-amino-4-methyl-1H-indazol-5-yl)-3-methylphenyl]sulfonylpyrrolidin-2-yl]ethanol
CID 134362215
6-[2-chloro-4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-fluoropyridine-2-carbonitrile
CID 134367355
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxy-1-methylcyclobutyl)-3-methylbenzenesulfonamide
CID 134362198
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
CID 134362264
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-3-methylbenzenesulfonamide
CID 134362114
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-hydroxycyclohexyl)-3-methylbenzenesulfonamide
CID 134362071
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 134367091
[2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 15707467

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol (CID 134362385) is [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol is Cc1cc(S(=O)(=O)N2CC(F)(F)CC2CO)ccc1-c1ccc2[nH]nc(N)c2c1Cl.
What is the InChIKey of [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol?
The InChIKey is JTMBJJAVYKJCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O3S/c1-10-6-12(30(28,29)26-9-19(21,22)7-11(26)8-27)2-3-13(10)14-4-5-15-16(17(14)20)18(23)25-24-15/h2-6,11,27H,7-9H2,1H3,(H3,23,24,25).
What are the key properties of [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol?
[1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 456.90 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-amino-4-chloro-1H-indazol-5-yl)-3-methylphenyl]sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 134362385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).