2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate

C18H14NO4S- — CID 7573844

IUPAC2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
SMILESCc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)[O-])ccc2c1
InChIInChI=1S/C18H15NO4S/c1-12-6-7-14-11-15(9-8-13(14)10-12)24(22,23)19-17-5-3-2-4-16(17)18(20)21/h2-11,19H,1H3,(H,20,21)/p-1
InChIKeyQWSMYEWLZWYUGS-UHFFFAOYSA-M
MW340.38 g/mol
LogP2.31
Rot. Bonds4

About 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate

2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate (PubChem CID 7573844) has the molecular formula C18H14NO4S- and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Name2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
PubChem CID7573844
Molecular FormulaC18H14NO4S-
Molecular Weight340.38 g/mol
Exact Mass340.06
IUPAC Name2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
SMILESCc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)[O-])ccc2c1
InChIInChI=1S/C18H15NO4S/c1-12-6-7-14-11-15(9-8-13(14)10-12)24(22,23)19-17-5-3-2-4-16(17)18(20)21/h2-11,19H,1H3,(H,20,21)/p-1
InChIKeyQWSMYEWLZWYUGS-UHFFFAOYSA-M
XLogP2.31
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate?
The IUPAC name of 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate (CID 7573844) is 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate.
What is the SMILES notation for 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate?
The canonical SMILES for 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate is Cc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)[O-])ccc2c1.
What is the InChIKey of 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate?
The InChIKey is QWSMYEWLZWYUGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO4S/c1-12-6-7-14-11-15(9-8-13(14)10-12)24(22,23)19-17-5-3-2-4-16(17)18(20)21/h2-11,19H,1H3,(H,20,21)/p-1.
What are the key properties of 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate?
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 7573844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).