4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide

C22H19ClN4O3S — CID 50825236

IUPAC4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4Cl)ccc3n2C)cc1
InChIInChI=1S/C22H19ClN4O3S/c1-24-22(28)15-9-7-14(8-10-15)21-25-18-13-16(11-12-19(18)27(21)2)26-31(29,30)20-6-4-3-5-17(20)23/h3-13,26H,1-2H3,(H,24,28)
InChIKeyZDSSEHZLINKTDQ-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.05
Rot. Bonds5

About 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide

4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide (PubChem CID 50825236) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
PubChem CID50825236
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4Cl)ccc3n2C)cc1
InChIInChI=1S/C22H19ClN4O3S/c1-24-22(28)15-9-7-14(8-10-15)21-25-18-13-16(11-12-19(18)27(21)2)26-31(29,30)20-6-4-3-5-17(20)23/h3-13,26H,1-2H3,(H,24,28)
InChIKeyZDSSEHZLINKTDQ-UHFFFAOYSA-N
XLogP4.05
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
N-[5-[(2-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379313
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
4-[5-(butylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825231
4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825245
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide
CID 58408621
2-chloro-N-(1-hexylbenzimidazol-5-yl)benzenesulfonamide
CID 44567357

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide (CID 50825236) is 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4Cl)ccc3n2C)cc1.
What is the InChIKey of 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
The InChIKey is ZDSSEHZLINKTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-24-22(28)15-9-7-14(8-10-15)21-25-18-13-16(11-12-19(18)27(21)2)26-31(29,30)20-6-4-3-5-17(20)23/h3-13,26H,1-2H3,(H,24,28).
What are the key properties of 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide has a molecular weight of 454.94 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 50825236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).