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

C24H25N3O4S — CID 1149874

IUPACN-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(C[C@H](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/t19-/m1/s1
InChIKeyKZVDFWRQJKWYMU-LJQANCHMSA-N
MW451.55 g/mol
LogP3.61
Rot. Bonds8

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

N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 1149874) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID1149874
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(C[C@H](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/t19-/m1/s1
InChIKeyKZVDFWRQJKWYMU-LJQANCHMSA-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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Related Compounds

N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1149863
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3152323
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1125478
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
CID 3431498
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6549429
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4598465
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium chloride
CID 44657756
N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1367443
N-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6964073
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172
N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3715769

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 1149874) is N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(C[C@H](O)Cn1c(C)nc2ccccc21)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is KZVDFWRQJKWYMU-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[(2R)-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-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1149874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).