5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide

C19H20ClN3O3S — CID 52949626

IUPAC5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
SMILESCCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H20ClN3O3S/c1-2-3-8-19-22-15-6-4-5-7-16(15)23(19)12-17(24)13-9-10-14(20)18(11-13)27(21,25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,25,26)
InChIKeyKIJYPBCMKSZQGD-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.56
Rot. Bonds7

About 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide

5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (PubChem CID 52949626) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
PubChem CID52949626
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
SMILESCCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H20ClN3O3S/c1-2-3-8-19-22-15-6-4-5-7-16(15)23(19)12-17(24)13-9-10-14(20)18(11-13)27(21,25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,25,26)
InChIKeyKIJYPBCMKSZQGD-UHFFFAOYSA-N
XLogP3.56
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The IUPAC name of 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (CID 52949626) is 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide is CCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The InChIKey is KIJYPBCMKSZQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-2-3-8-19-22-15-6-4-5-7-16(15)23(19)12-17(24)13-9-10-14(20)18(11-13)27(21,25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,25,26).
What are the key properties of 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide has a molecular weight of 405.91 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-butylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 52949626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).