4-(naphthalen-2-ylsulfonylamino)benzoic acid

C17H13NO4S — CID 14323373

IUPAC4-(naphthalen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H13NO4S/c19-17(20)13-5-8-15(9-6-13)18-23(21,22)16-10-7-12-3-1-2-4-14(12)11-16/h1-11,18H,(H,19,20)
InChIKeyKYCXQLZPDVXMGB-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.34
Rot. Bonds4

About 4-(naphthalen-2-ylsulfonylamino)benzoic acid

4-(naphthalen-2-ylsulfonylamino)benzoic acid (PubChem CID 14323373) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(naphthalen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-(naphthalen-2-ylsulfonylamino)benzoic acid
PubChem CID14323373
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name4-(naphthalen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H13NO4S/c19-17(20)13-5-8-15(9-6-13)18-23(21,22)16-10-7-12-3-1-2-4-14(12)11-16/h1-11,18H,(H,19,20)
InChIKeyKYCXQLZPDVXMGB-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

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-(naphthalen-2-ylsulfonylamino)benzoic acid (CID 14323373) is 4-(naphthalen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-(naphthalen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-(naphthalen-2-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylsulfonylamino)benzoic acid?
The InChIKey is KYCXQLZPDVXMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c19-17(20)13-5-8-15(9-6-13)18-23(21,22)16-10-7-12-3-1-2-4-14(12)11-16/h1-11,18H,(H,19,20).
What are the key properties of 4-(naphthalen-2-ylsulfonylamino)benzoic acid?
4-(naphthalen-2-ylsulfonylamino)benzoic 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 4-(naphthalen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 14323373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).