N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide

C20H17N3O2S — CID 1098317

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14-6-12-17(13-7-14)26(24,25)23-16-10-8-15(9-11-16)20-21-18-4-2-3-5-19(18)22-20/h2-13,23H,1H3,(H,21,22)
InChIKeyHVJYEBVIRDYYJW-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.34
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 1098317) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID1098317
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14-6-12-17(13-7-14)26(24,25)23-16-10-8-15(9-11-16)20-21-18-4-2-3-5-19(18)22-20/h2-13,23H,1H3,(H,21,22)
InChIKeyHVJYEBVIRDYYJW-UHFFFAOYSA-N
XLogP4.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 1098317) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is HVJYEBVIRDYYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-6-12-17(13-7-14)26(24,25)23-16-10-8-15(9-11-16)20-21-18-4-2-3-5-19(18)22-20/h2-13,23H,1H3,(H,21,22).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1098317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).