N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide

C21H18ClN3O2S — CID 44567314

IUPACN-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C21H18ClN3O2S/c22-19-9-5-4-8-17(19)14-28(26,27)24-18-10-11-21-20(12-18)23-15-25(21)13-16-6-2-1-3-7-16/h1-12,15,24H,13-14H2
InChIKeyHKRXVIMQFWPWEO-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.68
Rot. Bonds6

About N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide

N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide (PubChem CID 44567314) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide
PubChem CID44567314
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C21H18ClN3O2S/c22-19-9-5-4-8-17(19)14-28(26,27)24-18-10-11-21-20(12-18)23-15-25(21)13-16-6-2-1-3-7-16/h1-12,15,24H,13-14H2
InChIKeyHKRXVIMQFWPWEO-UHFFFAOYSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide (CID 44567314) is N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide?
The InChIKey is HKRXVIMQFWPWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c22-19-9-5-4-8-17(19)14-28(26,27)24-18-10-11-21-20(12-18)23-15-25(21)13-16-6-2-1-3-7-16/h1-12,15,24H,13-14H2.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide has a molecular weight of 411.91 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)-1-(2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 44567314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).