N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide

C22H20ClN3O2S — CID 66925981

IUPACN-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2)ccc2c1nc(C)n2Cc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O2S/c1-15-20(25-29(27,28)18-9-4-3-5-10-18)12-13-21-22(15)24-16(2)26(21)14-17-8-6-7-11-19(17)23/h3-13,25H,14H2,1-2H3
InChIKeySSWLVTKGCXMYPD-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.16
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide (PubChem CID 66925981) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide
PubChem CID66925981
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2)ccc2c1nc(C)n2Cc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O2S/c1-15-20(25-29(27,28)18-9-4-3-5-10-18)12-13-21-22(15)24-16(2)26(21)14-17-8-6-7-11-19(17)23/h3-13,25H,14H2,1-2H3
InChIKeySSWLVTKGCXMYPD-UHFFFAOYSA-N
XLogP5.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide (CID 66925981) is N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccccc2)ccc2c1nc(C)n2Cc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide?
The InChIKey is SSWLVTKGCXMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-15-20(25-29(27,28)18-9-4-3-5-10-18)12-13-21-22(15)24-16(2)26(21)14-17-8-6-7-11-19(17)23/h3-13,25H,14H2,1-2H3.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-2,4-dimethylbenzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 66925981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).