N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

C24H25N3O4S — CID 2910397

IUPACN-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)Cn1c(C)nc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O4S/c1-18-25-21-12-6-7-13-22(21)26(18)16-19(28)17-27(23-14-8-9-15-24(23)31-2)32(29,30)20-10-4-3-5-11-20/h3-15,19,28H,16-17H2,1-2H3
InChIKeyKZVDFWRQJKWYMU-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.61
Rot. Bonds8

About N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 2910397) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID2910397
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)Cn1c(C)nc2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O4S/c1-18-25-21-12-6-7-13-22(21)26(18)16-19(28)17-27(23-14-8-9-15-24(23)31-2)32(29,30)20-10-4-3-5-11-20/h3-15,19,28H,16-17H2,1-2H3
InChIKeyKZVDFWRQJKWYMU-UHFFFAOYSA-N
XLogP3.61
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide 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 N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 2910397) is N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(CC(O)Cn1c(C)nc2ccccc21)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is KZVDFWRQJKWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-18-25-21-12-6-7-13-22(21)26(18)16-19(28)17-27(23-14-8-9-15-24(23)31-2)32(29,30)20-10-4-3-5-11-20/h3-15,19,28H,16-17H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2910397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).