3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid

C15H15NO4S — CID 62998199

IUPAC3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccccc1S(=O)(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-10-6-3-4-9-13(10)21(19,20)16-14-11(2)7-5-8-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyLTTJFINTMXHPRY-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.80
Rot. Bonds4

About 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid

3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 62998199) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
PubChem CID62998199
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccccc1S(=O)(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-10-6-3-4-9-13(10)21(19,20)16-14-11(2)7-5-8-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyLTTJFINTMXHPRY-UHFFFAOYSA-N
XLogP2.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16773117
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3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
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3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455802
2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 39839388
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2-methylbenzene-1,3-dicarboxylic acid;2-methylbenzenesulfonic acid
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2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]-3-methylbenzoic acid
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CID 36591659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid (CID 62998199) is 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid is Cc1ccccc1S(=O)(=O)Nc1c(C)cccc1C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is LTTJFINTMXHPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-6-3-4-9-13(10)21(19,20)16-14-11(2)7-5-8-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid?
3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 62998199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).