5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

C23H24ClFN2O4S — CID 45380876

IUPAC5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn([C@H](C)[C@H](C)O)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C23H24ClFN2O4S/c1-13-20(23(29)26-17-6-8-18(9-7-17)32(4,30)31)12-27(14(2)15(3)28)22(13)19-10-5-16(25)11-21(19)24/h5-12,14-15,28H,1-4H3,(H,26,29)/t14-,15+/m1/s1
InChIKeyWSRMVIRQHUZSGA-CABCVRRESA-N
MW478.97 g/mol
LogP4.85
Rot. Bonds6

About 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (PubChem CID 45380876) has the molecular formula C23H24ClFN2O4S and a molecular weight of 478.97 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
PubChem CID45380876
Molecular FormulaC23H24ClFN2O4S
Molecular Weight478.97 g/mol
Exact Mass478.11
IUPAC Name5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn([C@H](C)[C@H](C)O)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C23H24ClFN2O4S/c1-13-20(23(29)26-17-6-8-18(9-7-17)32(4,30)31)12-27(14(2)15(3)28)22(13)19-10-5-16(25)11-21(19)24/h5-12,14-15,28H,1-4H3,(H,26,29)/t14-,15+/m1/s1
InChIKeyWSRMVIRQHUZSGA-CABCVRRESA-N
XLogP4.85
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.97
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide 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

5-[4-fluoro-2-(trifluoromethyl)phenyl]-1-(3-hydroxybutan-2-yl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 58488522
5-(2,4-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 59808065
1-(2-chloro-4-fluorophenyl)-5-(2-fluoroethyl)-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 58482993
1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide
CID 59807932
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
5-[3,5-bis(trifluoromethyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 87236285
N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide
CID 34164652
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
1-[2-(difluoromethyl)-4-fluorophenyl]-5-(2-hydroxypropyl)-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 75109699
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59808198

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (CID 45380876) is 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn([C@H](C)[C@H](C)O)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The InChIKey is WSRMVIRQHUZSGA-CABCVRRESA-N. The full InChI is InChI=1S/C23H24ClFN2O4S/c1-13-20(23(29)26-17-6-8-18(9-7-17)32(4,30)31)12-27(14(2)15(3)28)22(13)19-10-5-16(25)11-21(19)24/h5-12,14-15,28H,1-4H3,(H,26,29)/t14-,15+/m1/s1.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide has a molecular weight of 478.97 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-1-[(2R,3S)-3-hydroxybutan-2-yl]-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 45380876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).