N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide

C14H13N3O2S — CID 2990472

IUPACN-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C14H13N3O2S/c18-20(19,11-6-2-1-3-7-11)15-10-14-16-12-8-4-5-9-13(12)17-14/h1-9,15H,10H2,(H,16,17)
InChIKeyZSDQORRWMOOZCQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.04
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 2990472) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide
PubChem CID2990472
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C14H13N3O2S/c18-20(19,11-6-2-1-3-7-11)15-10-14-16-12-8-4-5-9-13(12)17-14/h1-9,15H,10H2,(H,16,17)
InChIKeyZSDQORRWMOOZCQ-UHFFFAOYSA-N
XLogP2.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide (CID 2990472) is N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZSDQORRWMOOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-20(19,11-6-2-1-3-7-11)15-10-14-16-12-8-4-5-9-13(12)17-14/h1-9,15H,10H2,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2990472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).