2-[3-(methylsulfamoyl)anilino]butanoic acid

C11H16N2O4S — CID 113292402

IUPAC2-[3-(methylsulfamoyl)anilino]butanoic acid
SMILESCCC(Nc1cccc(S(=O)(=O)NC)c1)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-10(11(14)15)13-8-5-4-6-9(7-8)18(16,17)12-2/h4-7,10,12-13H,3H2,1-2H3,(H,14,15)
InChIKeyPLLYGTDYLVBGTH-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.87
Rot. Bonds6

About 2-[3-(methylsulfamoyl)anilino]butanoic acid

2-[3-(methylsulfamoyl)anilino]butanoic acid (PubChem CID 113292402) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[3-(methylsulfamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name2-[3-(methylsulfamoyl)anilino]butanoic acid
PubChem CID113292402
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[3-(methylsulfamoyl)anilino]butanoic acid
SMILESCCC(Nc1cccc(S(=O)(=O)NC)c1)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-10(11(14)15)13-8-5-4-6-9(7-8)18(16,17)12-2/h4-7,10,12-13H,3H2,1-2H3,(H,14,15)
InChIKeyPLLYGTDYLVBGTH-UHFFFAOYSA-N
XLogP0.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
2-(3-ethynylanilino)butanoic acid
CID 64669723
2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylsulfamoyl)anilino]butanoic acid?
The IUPAC name of 2-[3-(methylsulfamoyl)anilino]butanoic acid (CID 113292402) is 2-[3-(methylsulfamoyl)anilino]butanoic acid.
What is the SMILES notation for 2-[3-(methylsulfamoyl)anilino]butanoic acid?
The canonical SMILES for 2-[3-(methylsulfamoyl)anilino]butanoic acid is CCC(Nc1cccc(S(=O)(=O)NC)c1)C(=O)O.
What is the InChIKey of 2-[3-(methylsulfamoyl)anilino]butanoic acid?
The InChIKey is PLLYGTDYLVBGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-10(11(14)15)13-8-5-4-6-9(7-8)18(16,17)12-2/h4-7,10,12-13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(methylsulfamoyl)anilino]butanoic acid?
2-[3-(methylsulfamoyl)anilino]butanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylsulfamoyl)anilino]butanoic acid is sourced from PubChem (CID 113292402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).