2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide

C22H19ClN4O3S — CID 43070770

IUPAC2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)n1cnc2ccccc21
InChIInChI=1S/C22H19ClN4O3S/c1-15(27-14-24-20-7-2-3-8-21(20)27)22(28)25-17-5-4-6-18(13-17)26-31(29,30)19-11-9-16(23)10-12-19/h2-15,26H,1H3,(H,25,28)
InChIKeyALRCIHNSQRJKID-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.69
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide

2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide (PubChem CID 43070770) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide
PubChem CID43070770
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)n1cnc2ccccc21
InChIInChI=1S/C22H19ClN4O3S/c1-15(27-14-24-20-7-2-3-8-21(20)27)22(28)25-17-5-4-6-18(13-17)26-31(29,30)19-11-9-16(23)10-12-19/h2-15,26H,1H3,(H,25,28)
InChIKeyALRCIHNSQRJKID-UHFFFAOYSA-N
XLogP4.69
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(benzimidazol-1-yl)propanoylamino]carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 43070364
2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 42959453
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
CID 43062359
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46604605
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697
(2R)-N-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 39843542
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
CID 55965472

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide (CID 43070770) is 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide is CC(C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is ALRCIHNSQRJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-15(27-14-24-20-7-2-3-8-21(20)27)22(28)25-17-5-4-6-18(13-17)26-31(29,30)19-11-9-16(23)10-12-19/h2-15,26H,1H3,(H,25,28).
What are the key properties of 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide?
2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 454.94 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 43070770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).