N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide

C23H24ClFN2O4S — CID 58483026

IUPACN-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide
SMILESCc1cc(F)ccc1-n1c(C[C@H](C)O)cc(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)c1C
InChIInChI=1S/C23H24ClFN2O4S/c1-13-9-16(25)5-7-21(13)27-15(3)19(12-18(27)10-14(2)28)23(29)26-17-6-8-22(20(24)11-17)32(4,30)31/h5-9,11-12,14,28H,10H2,1-4H3,(H,26,29)/t14-/m0/s1
InChIKeyZHFPXJKQJAAVGV-AWEZNQCLSA-N
MW478.97 g/mol
LogP4.47
Rot. Bonds6

About N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide

N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide (PubChem CID 58483026) has the molecular formula C23H24ClFN2O4S and a molecular weight of 478.97 g/mol. Its IUPAC name is N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide
PubChem CID58483026
Molecular FormulaC23H24ClFN2O4S
Molecular Weight478.97 g/mol
Exact Mass478.11
IUPAC NameN-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide
SMILESCc1cc(F)ccc1-n1c(C[C@H](C)O)cc(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)c1C
InChIInChI=1S/C23H24ClFN2O4S/c1-13-9-16(25)5-7-21(13)27-15(3)19(12-18(27)10-14(2)28)23(29)26-17-6-8-22(20(24)11-17)32(4,30)31/h5-9,11-12,14,28H,10H2,1-4H3,(H,26,29)/t14-/m0/s1
InChIKeyZHFPXJKQJAAVGV-AWEZNQCLSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylsulfonylphenyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide
CID 58483035
1-[2-(difluoromethoxy)-4-fluorophenyl]-5-(2-hydroxypropyl)-2-methyl-N-(3-methyl-4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 75109698
1-(4-fluoro-2-methylphenyl)-2-methyl-N-(3-methyl-4-methylsulfonylphenyl)-5-(2-phenylmethoxypropyl)pyrrole-3-carboxamide
CID 76800127
1-[2-(difluoromethyl)-4-fluorophenyl]-5-(2-hydroxypropyl)-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 75109699
1-(2-chloro-4-fluorophenyl)-5-(2-fluoroethyl)-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 58482993
1-[1-(2-chloro-4-fluorophenyl)-5-methyl-4-[(4-methylsulfonylanilino)methyl]pyrrol-2-yl]propan-2-ol
CID 91199704
1-(4-chloro-2-methylphenyl)-5-(2-fluoroethyl)-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 45279096
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 75109750
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[4-sulfamoyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807746
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 86939859
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
CID 26886366

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide (CID 58483026) is N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide is Cc1cc(F)ccc1-n1c(C[C@H](C)O)cc(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)c1C.
What is the InChIKey of N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is ZHFPXJKQJAAVGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24ClFN2O4S/c1-13-9-16(25)5-7-21(13)27-15(3)19(12-18(27)10-14(2)28)23(29)26-17-6-8-22(20(24)11-17)32(4,30)31/h5-9,11-12,14,28H,10H2,1-4H3,(H,26,29)/t14-/m0/s1.
What are the key properties of N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide?
N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 478.97 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylsulfonylphenyl)-1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 58483026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).