2-(2-methylsulfonylethylamino)benzoic acid

C10H13NO4S — CID 62230522

IUPAC2-(2-methylsulfonylethylamino)benzoic acid
SMILESCS(=O)(=O)CCNc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-16(14,15)7-6-11-9-5-3-2-4-8(9)10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyWUXUDIQXBNYPBM-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.84
Rot. Bonds5

About 2-(2-methylsulfonylethylamino)benzoic acid

2-(2-methylsulfonylethylamino)benzoic acid (PubChem CID 62230522) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)benzoic acid.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)benzoic acid
PubChem CID62230522
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(2-methylsulfonylethylamino)benzoic acid
SMILESCS(=O)(=O)CCNc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-16(14,15)7-6-11-9-5-3-2-4-8(9)10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyWUXUDIQXBNYPBM-UHFFFAOYSA-N
XLogP0.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-sulfamoylethylamino)benzoic acid
CID 62231211
2-[2-(2-chloroethylsulfonyl)ethylamino]benzoic acid
CID 173307369
4-bromo-2-(2-methylsulfonylethylamino)benzoic acid
CID 114907175
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020
2-bromo-3-fluoro-4-(2-methylsulfonylethylamino)benzoic acid
CID 107539900
2-iodo-N-(2-methylsulfonylethyl)aniline
CID 60917001
2-(tetradecylamino)benzoic acid
CID 15090293
2-[(4-methylsulfonylphenyl)methylamino]benzoic acid
CID 62232382
2-(3-phenylbutylamino)benzoic acid
CID 63423081
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)benzoic acid?
The IUPAC name of 2-(2-methylsulfonylethylamino)benzoic acid (CID 62230522) is 2-(2-methylsulfonylethylamino)benzoic acid.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)benzoic acid?
The canonical SMILES for 2-(2-methylsulfonylethylamino)benzoic acid is CS(=O)(=O)CCNc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methylsulfonylethylamino)benzoic acid?
The InChIKey is WUXUDIQXBNYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-16(14,15)7-6-11-9-5-3-2-4-8(9)10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-(2-methylsulfonylethylamino)benzoic acid?
2-(2-methylsulfonylethylamino)benzoic acid has a molecular weight of 243.28 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)benzoic acid is sourced from PubChem (CID 62230522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).