[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate

C18H15NO4S — CID 174784380

IUPAC[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate
SMILESCc1ccc(S(=O)(=O)NOC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO4S/c1-13-9-11-15(12-10-13)24(21,22)19-23-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,19H,1H3
InChIKeyZWPWASQPQVKZON-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.20
Rot. Bonds4

About [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate

[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate (PubChem CID 174784380) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate
PubChem CID174784380
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate
SMILESCc1ccc(S(=O)(=O)NOC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO4S/c1-13-9-11-15(12-10-13)24(21,22)19-23-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,19H,1H3
InChIKeyZWPWASQPQVKZON-UHFFFAOYSA-N
XLogP3.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
CID 91412812
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
[4-[(Z)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6030741
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52507385
[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 6264639
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
[1-[(Z)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6112739
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate?
The IUPAC name of [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate (CID 174784380) is [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate.
What is the SMILES notation for [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate?
The canonical SMILES for [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate is Cc1ccc(S(=O)(=O)NOC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate?
The InChIKey is ZWPWASQPQVKZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-13-9-11-15(12-10-13)24(21,22)19-23-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,19H,1H3.
What are the key properties of [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate?
[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate is sourced from PubChem (CID 174784380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).