sodium 4-[(2-methylphenyl)sulfonylamino]benzoate

C14H12NNaO4S — CID 23687871

IUPACsodium 4-[(2-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C14H13NO4S.Na/c1-10-4-2-3-5-13(10)20(18,19)15-12-8-6-11(7-9-12)14(16)17;/h2-9,15H,1H3,(H,16,17);/q;+1/p-1
InChIKeyFZKVRMBFSFOSFS-UHFFFAOYSA-M
MW313.31 g/mol
LogP-1.84
Rot. Bonds4

About sodium 4-[(2-methylphenyl)sulfonylamino]benzoate

sodium 4-[(2-methylphenyl)sulfonylamino]benzoate (PubChem CID 23687871) has the molecular formula C14H12NNaO4S and a molecular weight of 313.31 g/mol. Its IUPAC name is sodium 4-[(2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namesodium 4-[(2-methylphenyl)sulfonylamino]benzoate
PubChem CID23687871
Molecular FormulaC14H12NNaO4S
Molecular Weight313.31 g/mol
Exact Mass313.04
IUPAC Namesodium 4-[(2-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C14H13NO4S.Na/c1-10-4-2-3-5-13(10)20(18,19)15-12-8-6-11(7-9-12)14(16)17;/h2-9,15H,1H3,(H,16,17);/q;+1/p-1
InChIKeyFZKVRMBFSFOSFS-UHFFFAOYSA-M
XLogP-1.84
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
4-(phenylsulfamoyl)benzoate
CID 6997297
4-[(4-iodophenyl)sulfonylamino]benzoate
CID 7312166
4-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 6982972
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525

Frequently Asked Questions

What is the IUPAC name of sodium 4-[(2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of sodium 4-[(2-methylphenyl)sulfonylamino]benzoate (CID 23687871) is sodium 4-[(2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for sodium 4-[(2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for sodium 4-[(2-methylphenyl)sulfonylamino]benzoate is Cc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 4-[(2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is FZKVRMBFSFOSFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO4S.Na/c1-10-4-2-3-5-13(10)20(18,19)15-12-8-6-11(7-9-12)14(16)17;/h2-9,15H,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 4-[(2-methylphenyl)sulfonylamino]benzoate?
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 313.31 g/mol, XLogP of -1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[(2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 23687871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).