N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C24H25N3O4S — CID 2909384

IUPACN-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2cnc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-18-7-13-22(14-8-18)32(29,30)27(19-9-11-21(31-2)12-10-19)16-20(28)15-26-17-25-23-5-3-4-6-24(23)26/h3-14,17,20,28H,15-16H2,1-2H3
InChIKeyAEKPRUXMCRHOKR-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.61
Rot. Bonds8

About N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 2909384) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID2909384
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2cnc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-18-7-13-22(14-8-18)32(29,30)27(19-9-11-21(31-2)12-10-19)16-20(28)15-26-17-25-23-5-3-4-6-24(23)26/h3-14,17,20,28H,15-16H2,1-2H3
InChIKeyAEKPRUXMCRHOKR-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 2909384) is N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(CC(O)Cn2cnc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is AEKPRUXMCRHOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-18-7-13-22(14-8-18)32(29,30)27(19-9-11-21(31-2)12-10-19)16-20(28)15-26-17-25-23-5-3-4-6-24(23)26/h3-14,17,20,28H,15-16H2,1-2H3.
What are the key properties of N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide 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-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2909384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).