methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate

C19H17NO4S — CID 169372846

IUPACmethyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NO4S/c1-13-7-10-15(11-8-13)25(22,23)20-18-16-6-4-3-5-14(16)9-12-17(18)19(21)24-2/h3-12,20H,1-2H3
InChIKeyGTMLDMZJKXOTIP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.74
Rot. Bonds4

About methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate

methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate (PubChem CID 169372846) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
PubChem CID169372846
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Namemethyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NO4S/c1-13-7-10-15(11-8-13)25(22,23)20-18-16-6-4-3-5-14(16)9-12-17(18)19(21)24-2/h3-12,20H,1-2H3
InChIKeyGTMLDMZJKXOTIP-UHFFFAOYSA-N
XLogP3.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 139249633
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
[(4-methylphenyl)sulfonylamino] naphthalene-1-carboxylate
CID 174784380
methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 169371636
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372369
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
methyl 3,4-diamino-2,5-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 118497707
2-bromoethyl 1-[2,4-dimethyl-6-[(4-methylphenyl)sulfonylamino]phenyl]naphthalene-2-carboxylate
CID 154721510
N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 135018198
methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
CID 22633909

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate?
The IUPAC name of methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate (CID 169372846) is methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate?
The canonical SMILES for methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate?
The InChIKey is GTMLDMZJKXOTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-13-7-10-15(11-8-13)25(22,23)20-18-16-6-4-3-5-14(16)9-12-17(18)19(21)24-2/h3-12,20H,1-2H3.
What are the key properties of methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate?
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate is sourced from PubChem (CID 169372846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).