N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide

C17H13N3O2S — CID 3157932

IUPACN-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C17H13N3O2S/c21-23(22,14-10-9-12-5-1-2-6-13(12)11-14)20-17-18-15-7-3-4-8-16(15)19-17/h1-11H,(H2,18,19,20)
InChIKeyBEROWXFCKFZECS-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.52
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide

N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide (PubChem CID 3157932) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide
PubChem CID3157932
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C17H13N3O2S/c21-23(22,14-10-9-12-5-1-2-6-13(12)11-14)20-17-18-15-7-3-4-8-16(15)19-17/h1-11H,(H2,18,19,20)
InChIKeyBEROWXFCKFZECS-UHFFFAOYSA-N
XLogP3.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.52
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-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide (CID 3157932) is N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide?
The InChIKey is BEROWXFCKFZECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-23(22,14-10-9-12-5-1-2-6-13(12)11-14)20-17-18-15-7-3-4-8-16(15)19-17/h1-11H,(H2,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide?
N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide has a molecular weight of 323.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 3157932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).