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

C21H18N4O4S — CID 26664033

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-13-2-6-15(7-3-13)25-30(28,29)17-9-4-14(5-10-17)20(26)22-16-8-11-18-19(12-16)24-21(27)23-18/h2-12,25H,1H3,(H,22,26)(H2,23,24,27)
InChIKeyGSZLWLMMIGWBOE-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.22
Rot. Bonds5

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

4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 26664033) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID26664033
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C21H18N4O4S/c1-13-2-6-15(7-3-13)25-30(28,29)17-9-4-14(5-10-17)20(26)22-16-8-11-18-19(12-16)24-21(27)23-18/h2-12,25H,1H3,(H,22,26)(H2,23,24,27)
InChIKeyGSZLWLMMIGWBOE-UHFFFAOYSA-N
XLogP3.22
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25374262
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 24818331
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]phenyl]propanamide
CID 50796979

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 26664033) is 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is GSZLWLMMIGWBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-13-2-6-15(7-3-13)25-30(28,29)17-9-4-14(5-10-17)20(26)22-16-8-11-18-19(12-16)24-21(27)23-18/h2-12,25H,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 422.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 26664033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).