3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

C23H21ClN4O3S — CID 17480323

IUPAC3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C23H21ClN4O3S/c1-28-20-10-6-5-9-19(20)27-22(28)15-25-23(29)17-11-12-18(24)21(13-17)32(30,31)26-14-16-7-3-2-4-8-16/h2-13,26H,14-15H2,1H3,(H,25,29)
InChIKeyRWIUQMXTEITWCG-UHFFFAOYSA-N
MW468.97 g/mol
LogP3.64
Rot. Bonds7

About 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17480323) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17480323
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCn1c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C23H21ClN4O3S/c1-28-20-10-6-5-9-19(20)27-22(28)15-25-23(29)17-11-12-18(24)21(13-17)32(30,31)26-14-16-7-3-2-4-8-16/h2-13,26H,14-15H2,1H3,(H,25,29)
InChIKeyRWIUQMXTEITWCG-UHFFFAOYSA-N
XLogP3.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
3-(benzylsulfamoyl)-4-chloro-N-(3-ethoxypropyl)benzamide
CID 24540711
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 134012176
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
N-(1,3-benzothiazol-2-ylmethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 55380920
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide (CID 17480323) is 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is Cn1c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)nc2ccccc21.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is RWIUQMXTEITWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c1-28-20-10-6-5-9-19(20)27-22(28)15-25-23(29)17-11-12-18(24)21(13-17)32(30,31)26-14-16-7-3-2-4-8-16/h2-13,26H,14-15H2,1H3,(H,25,29).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide?
3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 468.97 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17480323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).