N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide

C20H16ClN3O2S — CID 44567319

IUPACN-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H16ClN3O2S/c21-17-8-4-5-9-20(17)27(25,26)23-16-10-11-19-18(12-16)22-14-24(19)13-15-6-2-1-3-7-15/h1-12,14,23H,13H2
InChIKeyWQOZQUOBLZIYNU-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.54
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide

N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide (PubChem CID 44567319) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide
PubChem CID44567319
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H16ClN3O2S/c21-17-8-4-5-9-20(17)27(25,26)23-16-10-11-19-18(12-16)22-14-24(19)13-15-6-2-1-3-7-15/h1-12,14,23H,13H2
InChIKeyWQOZQUOBLZIYNU-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.54
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)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide (CID 44567319) is N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide?
The InChIKey is WQOZQUOBLZIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c21-17-8-4-5-9-20(17)27(25,26)23-16-10-11-19-18(12-16)22-14-24(19)13-15-6-2-1-3-7-15/h1-12,14,23H,13H2.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-2-chlorobenzenesulfonamide has a molecular weight of 397.89 g/mol, XLogP of 4.54, 5 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)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 44567319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).