4-(N-methylsulfonylanilino)butanoic acid

C11H15NO4S — CID 50889586

IUPAC4-(N-methylsulfonylanilino)butanoic acid
SMILESCS(=O)(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-17(15,16)12(9-5-8-11(13)14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,14)
InChIKeyJVHZCGNVMRCSRH-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.32
Rot. Bonds6

About 4-(N-methylsulfonylanilino)butanoic acid

4-(N-methylsulfonylanilino)butanoic acid (PubChem CID 50889586) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(N-methylsulfonylanilino)butanoic acid.

Molecular Properties

Compound Name4-(N-methylsulfonylanilino)butanoic acid
PubChem CID50889586
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-(N-methylsulfonylanilino)butanoic acid
SMILESCS(=O)(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-17(15,16)12(9-5-8-11(13)14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,14)
InChIKeyJVHZCGNVMRCSRH-UHFFFAOYSA-N
XLogP1.32
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(N-methylsulfonylanilino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890894
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
4-(2-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890507
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073
4-(N-(2-methoxy-2-oxoethyl)sulfonylanilino)butanoic acid
CID 61357397
4-[N-(methoxycarbonylsulfamoyl)anilino]butanoic acid
CID 114462201
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]butanoic acid
CID 91671468
N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 9173648
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
CID 114814446

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylsulfonylanilino)butanoic acid?
The IUPAC name of 4-(N-methylsulfonylanilino)butanoic acid (CID 50889586) is 4-(N-methylsulfonylanilino)butanoic acid.
What is the SMILES notation for 4-(N-methylsulfonylanilino)butanoic acid?
The canonical SMILES for 4-(N-methylsulfonylanilino)butanoic acid is CS(=O)(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(N-methylsulfonylanilino)butanoic acid?
The InChIKey is JVHZCGNVMRCSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-17(15,16)12(9-5-8-11(13)14)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,14).
What are the key properties of 4-(N-methylsulfonylanilino)butanoic acid?
4-(N-methylsulfonylanilino)butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylsulfonylanilino)butanoic acid is sourced from PubChem (CID 50889586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).