N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide

C24H25N3O4S — CID 1149863

IUPACN-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C[C@H](O)Cn2c(C)nc3ccccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-18-25-23-10-6-7-11-24(23)26(18)16-20(28)17-27(19-12-14-21(31-2)15-13-19)32(29,30)22-8-4-3-5-9-22/h3-15,20,28H,16-17H2,1-2H3/t20-/m1/s1
InChIKeyAUVIUYZTPWWRMN-HXUWFJFHSA-N
MW451.55 g/mol
LogP3.61
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide

N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 1149863) 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-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID1149863
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C[C@H](O)Cn2c(C)nc3ccccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O4S/c1-18-25-23-10-6-7-11-24(23)26(18)16-20(28)17-27(19-12-14-21(31-2)15-13-19)32(29,30)22-8-4-3-5-9-22/h3-15,20,28H,16-17H2,1-2H3/t20-/m1/s1
InChIKeyAUVIUYZTPWWRMN-HXUWFJFHSA-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-(2-methoxyphenyl)benzenesulfonamide
CID 1149874
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1077010
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 6963649
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2884976
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
N-[(2R)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 27370916
N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 2908053

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 1149863) is N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(C[C@H](O)Cn2c(C)nc3ccccc32)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is AUVIUYZTPWWRMN-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-18-25-23-10-6-7-11-24(23)26(18)16-20(28)17-27(19-12-14-21(31-2)15-13-19)32(29,30)22-8-4-3-5-9-22/h3-15,20,28H,16-17H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide?
N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-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-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1149863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).