[(4-methylphenyl)sulfonylamino] 2-methylbenzoate

C15H15NO4S — CID 91412812

IUPAC[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NOC(=O)c2ccccc2C)cc1
InChIInChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(18,19)16-20-15(17)14-6-4-3-5-12(14)2/h3-10,16H,1-2H3
InChIKeyRANDXTBJMXCKIX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.35
Rot. Bonds4

About [(4-methylphenyl)sulfonylamino] 2-methylbenzoate

[(4-methylphenyl)sulfonylamino] 2-methylbenzoate (PubChem CID 91412812) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is [(4-methylphenyl)sulfonylamino] 2-methylbenzoate.

Molecular Properties

Compound Name[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
PubChem CID91412812
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NOC(=O)c2ccccc2C)cc1
InChIInChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(18,19)16-20-15(17)14-6-4-3-5-12(14)2/h3-10,16H,1-2H3
InChIKeyRANDXTBJMXCKIX-UHFFFAOYSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.35
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] naphthalene-1-carboxylate
CID 174784380
[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate
CID 90715436
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
4-methylbenzenesulfonic acid;2-methylbenzoic acid
CID 175869263
4-methylbenzenesulfonic acid;phthalic acid
CID 87829306
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate
CID 91245772
ethane;methane;methyl 2-methylbenzoate
CID 168902289
3-(2-methylbenzoyl)oxysulfonylpropylsulfonyl 2-methylbenzoate
CID 154264763

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)sulfonylamino] 2-methylbenzoate?
The IUPAC name of [(4-methylphenyl)sulfonylamino] 2-methylbenzoate (CID 91412812) is [(4-methylphenyl)sulfonylamino] 2-methylbenzoate.
What is the SMILES notation for [(4-methylphenyl)sulfonylamino] 2-methylbenzoate?
The canonical SMILES for [(4-methylphenyl)sulfonylamino] 2-methylbenzoate is Cc1ccc(S(=O)(=O)NOC(=O)c2ccccc2C)cc1.
What is the InChIKey of [(4-methylphenyl)sulfonylamino] 2-methylbenzoate?
The InChIKey is RANDXTBJMXCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(18,19)16-20-15(17)14-6-4-3-5-12(14)2/h3-10,16H,1-2H3.
What are the key properties of [(4-methylphenyl)sulfonylamino] 2-methylbenzoate?
[(4-methylphenyl)sulfonylamino] 2-methylbenzoate has a molecular weight of 305.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)sulfonylamino] 2-methylbenzoate is sourced from PubChem (CID 91412812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).