2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid

C17H13NO4S2 — CID 1023823

IUPAC2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid
SMILESNS(=O)(=O)c1c(Sc2ccccc2C(=O)O)ccc2ccccc12
InChIInChI=1S/C17H13NO4S2/c18-24(21,22)16-12-6-2-1-5-11(12)9-10-15(16)23-14-8-4-3-7-13(14)17(19)20/h1-10H,(H,19,20)(H2,18,21,22)
InChIKeyCJWCCIBBLIHEJO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.34
Rot. Bonds4

About 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid

2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid (PubChem CID 1023823) has the molecular formula C17H13NO4S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid.

Molecular Properties

Compound Name2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid
PubChem CID1023823
Molecular FormulaC17H13NO4S2
Molecular Weight359.43 g/mol
Exact Mass359.03
IUPAC Name2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid
SMILESNS(=O)(=O)c1c(Sc2ccccc2C(=O)O)ccc2ccccc12
InChIInChI=1S/C17H13NO4S2/c18-24(21,22)16-12-6-2-1-5-11(12)9-10-15(16)23-14-8-4-3-7-13(14)17(19)20/h1-10H,(H,19,20)(H2,18,21,22)
InChIKeyCJWCCIBBLIHEJO-UHFFFAOYSA-N
XLogP3.34
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid?
The IUPAC name of 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid (CID 1023823) is 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid.
What is the SMILES notation for 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid?
The canonical SMILES for 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid is NS(=O)(=O)c1c(Sc2ccccc2C(=O)O)ccc2ccccc12.
What is the InChIKey of 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid?
The InChIKey is CJWCCIBBLIHEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S2/c18-24(21,22)16-12-6-2-1-5-11(12)9-10-15(16)23-14-8-4-3-7-13(14)17(19)20/h1-10H,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid?
2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid has a molecular weight of 359.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-sulfamoylnaphthalen-2-yl)sulfanylbenzoic acid is sourced from PubChem (CID 1023823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).