2-[2-(methanesulfonamido)phenyl]benzoate

C14H12NO4S- — CID 171730361

IUPAC2-[2-(methanesulfonamido)phenyl]benzoate
SMILESCS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)[O-]
InChIInChI=1S/C14H13NO4S/c1-20(18,19)15-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1
InChIKeyFVJLAPPLSPTBIA-UHFFFAOYSA-M
MW290.32 g/mol
LogP1.09
Rot. Bonds4

About 2-[2-(methanesulfonamido)phenyl]benzoate

2-[2-(methanesulfonamido)phenyl]benzoate (PubChem CID 171730361) has the molecular formula C14H12NO4S- and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)phenyl]benzoate.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)phenyl]benzoate
PubChem CID171730361
Molecular FormulaC14H12NO4S-
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name2-[2-(methanesulfonamido)phenyl]benzoate
SMILESCS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)[O-]
InChIInChI=1S/C14H13NO4S/c1-20(18,19)15-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1
InChIKeyFVJLAPPLSPTBIA-UHFFFAOYSA-M
XLogP1.09
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
N-[2-(cyclohexanecarbonyl)phenyl]methanesulfonamide
CID 14771346
disilver;phthalate
CID 21449237
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
6-[2-(methanesulfonamido)phenyl]pyridine-3-sulfonic acid
CID 87212310
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
4-[2-(methanesulfonamido)phenyl]-4-oxobutanoic acid
CID 154453322
2-[2,3-bis(2-carboxylatophenyl)phenyl]benzoate;iron(3+)
CID 67068177
azulene-1,3-dicarboxylate
CID 140764257
N-(2-bromo-3-propanoylphenyl)methanesulfonamide
CID 174353531
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)phenyl]benzoate?
The IUPAC name of 2-[2-(methanesulfonamido)phenyl]benzoate (CID 171730361) is 2-[2-(methanesulfonamido)phenyl]benzoate.
What is the SMILES notation for 2-[2-(methanesulfonamido)phenyl]benzoate?
The canonical SMILES for 2-[2-(methanesulfonamido)phenyl]benzoate is CS(=O)(=O)Nc1ccccc1-c1ccccc1C(=O)[O-].
What is the InChIKey of 2-[2-(methanesulfonamido)phenyl]benzoate?
The InChIKey is FVJLAPPLSPTBIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO4S/c1-20(18,19)15-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1.
What are the key properties of 2-[2-(methanesulfonamido)phenyl]benzoate?
2-[2-(methanesulfonamido)phenyl]benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)phenyl]benzoate is sourced from PubChem (CID 171730361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).