methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate

C19H16N2O5S — CID 59762981

IUPACmethyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1
InChIInChI=1S/C19H16N2O5S/c1-26-19(23)15-5-3-12-10-14(4-2-13(12)11-15)18(22)21-16-6-8-17(9-7-16)27(20,24)25/h2-11H,1H3,(H,21,22)(H2,20,24,25)
InChIKeyPQSBJGDPJKGBTP-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.53
Rot. Bonds4

About methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate

methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate (PubChem CID 59762981) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
PubChem CID59762981
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Namemethyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1
InChIInChI=1S/C19H16N2O5S/c1-26-19(23)15-5-3-12-10-14(4-2-13(12)11-15)18(22)21-16-6-8-17(9-7-16)27(20,24)25/h2-11H,1H3,(H,21,22)(H2,20,24,25)
InChIKeyPQSBJGDPJKGBTP-UHFFFAOYSA-N
XLogP2.53
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(4-aminosulfanylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 163649489
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 17175147
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate (CID 59762981) is methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1.
What is the InChIKey of methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate?
The InChIKey is PQSBJGDPJKGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-26-19(23)15-5-3-12-10-14(4-2-13(12)11-15)18(22)21-16-6-8-17(9-7-16)27(20,24)25/h2-11H,1H3,(H,21,22)(H2,20,24,25).
What are the key properties of methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate?
methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate is sourced from PubChem (CID 59762981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).