3-[4-(dimethylsulfamoyl)anilino]butanoic acid

C12H18N2O4S — CID 43453879

IUPAC3-[4-(dimethylsulfamoyl)anilino]butanoic acid
SMILESCC(CC(=O)O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-12(15)16)13-10-4-6-11(7-5-10)19(17,18)14(2)3/h4-7,9,13H,8H2,1-3H3,(H,15,16)
InChIKeyWRFXFQQJYHHVKU-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.21
Rot. Bonds6

About 3-[4-(dimethylsulfamoyl)anilino]butanoic acid

3-[4-(dimethylsulfamoyl)anilino]butanoic acid (PubChem CID 43453879) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)anilino]butanoic acid
PubChem CID43453879
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-[4-(dimethylsulfamoyl)anilino]butanoic acid
SMILESCC(CC(=O)O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-12(15)16)13-10-4-6-11(7-5-10)19(17,18)14(2)3/h4-7,9,13H,8H2,1-3H3,(H,15,16)
InChIKeyWRFXFQQJYHHVKU-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(dimethylsulfamoyl)anilino]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-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106345924
1-[4-(dimethylsulfamoyl)phenyl]-3-(4-hydroxybutan-2-yl)urea
CID 146089010
2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
CID 62696169
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-[(1-chloro-4-methylpentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 65029603
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
N-[4-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049481
3-(4-fluoroanilino)-N,N-dimethylbutanamide
CID 115916764
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)anilino]butanoic acid?
The IUPAC name of 3-[4-(dimethylsulfamoyl)anilino]butanoic acid (CID 43453879) is 3-[4-(dimethylsulfamoyl)anilino]butanoic acid.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)anilino]butanoic acid?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)anilino]butanoic acid is CC(CC(=O)O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)anilino]butanoic acid?
The InChIKey is WRFXFQQJYHHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(8-12(15)16)13-10-4-6-11(7-5-10)19(17,18)14(2)3/h4-7,9,13H,8H2,1-3H3,(H,15,16).
What are the key properties of 3-[4-(dimethylsulfamoyl)anilino]butanoic acid?
3-[4-(dimethylsulfamoyl)anilino]butanoic acid has a molecular weight of 286.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)anilino]butanoic acid is sourced from PubChem (CID 43453879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).