3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

C23H21ClN4O4S — CID 166185338

IUPAC3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H21ClN4O4S/c1-13-6-7-16(11-21(13)33(31,32)28-18-5-3-4-17(24)12-18)22(29)25-14(2)15-8-9-19-20(10-15)27-23(30)26-19/h3-12,14,28H,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyFIHXDVKGYZYYCL-UHFFFAOYSA-N
MW484.97 g/mol
LogP4.11
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (PubChem CID 166185338) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
PubChem CID166185338
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H21ClN4O4S/c1-13-6-7-16(11-21(13)33(31,32)28-18-5-3-4-17(24)12-18)22(29)25-14(2)15-8-9-19-20(10-15)27-23(30)26-19/h3-12,14,28H,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyFIHXDVKGYZYYCL-UHFFFAOYSA-N
XLogP4.11
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide
CID 9163777
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide
CID 119433918
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55867079
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (CID 166185338) is 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The InChIKey is FIHXDVKGYZYYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-13-6-7-16(11-21(13)33(31,32)28-18-5-3-4-17(24)12-18)22(29)25-14(2)15-8-9-19-20(10-15)27-23(30)26-19/h3-12,14,28H,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide has a molecular weight of 484.97 g/mol, XLogP of 4.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 166185338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).