N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide

C14H13N3O2S — CID 39819464

IUPACN-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O2S/c1-20(18,19)17-12-5-2-10(3-6-12)11-4-7-13-14(8-11)16-9-15-13/h2-9,17H,1H3,(H,15,16)
InChIKeyZZAAPCYVDFTMRU-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.60
Rot. Bonds3

About N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide

N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide (PubChem CID 39819464) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide
PubChem CID39819464
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O2S/c1-20(18,19)17-12-5-2-10(3-6-12)11-4-7-13-14(8-11)16-9-15-13/h2-9,17H,1H3,(H,15,16)
InChIKeyZZAAPCYVDFTMRU-UHFFFAOYSA-N
XLogP2.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide (CID 39819464) is N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is ZZAAPCYVDFTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-20(18,19)17-12-5-2-10(3-6-12)11-4-7-13-14(8-11)16-9-15-13/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide?
N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 39819464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).