2-(benzenesulfonamido)naphthalene-1-carboxylic acid

C17H13NO4S — CID 11723962

IUPAC2-(benzenesulfonamido)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C17H13NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-11,18H,(H,19,20)
InChIKeyCXPIFTCBANXJNX-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.34
Rot. Bonds4

About 2-(benzenesulfonamido)naphthalene-1-carboxylic acid

2-(benzenesulfonamido)naphthalene-1-carboxylic acid (PubChem CID 11723962) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(benzenesulfonamido)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)naphthalene-1-carboxylic acid
PubChem CID11723962
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name2-(benzenesulfonamido)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C17H13NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-11,18H,(H,19,20)
InChIKeyCXPIFTCBANXJNX-UHFFFAOYSA-N
XLogP3.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonamido)naphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(benzenesulfonamido)naphthalene-1-carboxylic acid (CID 11723962) is 2-(benzenesulfonamido)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(benzenesulfonamido)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(benzenesulfonamido)naphthalene-1-carboxylic acid is O=C(O)c1c(NS(=O)(=O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-(benzenesulfonamido)naphthalene-1-carboxylic acid?
The InChIKey is CXPIFTCBANXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-11,18H,(H,19,20).
What are the key properties of 2-(benzenesulfonamido)naphthalene-1-carboxylic acid?
2-(benzenesulfonamido)naphthalene-1-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)naphthalene-1-carboxylic acid is sourced from PubChem (CID 11723962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).