4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid

C11H16N2O6S2 — CID 43715118

IUPAC4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
SMILESNS(=O)(=O)Cc1ccc(NS(=O)(=O)CCCC(=O)O)cc1
InChIInChI=1S/C11H16N2O6S2/c12-20(16,17)8-9-3-5-10(6-4-9)13-21(18,19)7-1-2-11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)(H2,12,16,17)
InChIKeyIWCNWUKCKLCGJZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.08
Rot. Bonds8

About 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid

4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid (PubChem CID 43715118) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
PubChem CID43715118
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC Name4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
SMILESNS(=O)(=O)Cc1ccc(NS(=O)(=O)CCCC(=O)O)cc1
InChIInChI=1S/C11H16N2O6S2/c12-20(16,17)8-9-3-5-10(6-4-9)13-21(18,19)7-1-2-11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)(H2,12,16,17)
InChIKeyIWCNWUKCKLCGJZ-UHFFFAOYSA-N
XLogP0.08
TPSA143.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]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-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide
CID 63666418
4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
CID 43700019
3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
3-[[4-(pyrrolidin-1-ylmethyl)phenyl]sulfamoyl]propanoic acid
CID 43705969
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid (CID 43715118) is 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid is NS(=O)(=O)Cc1ccc(NS(=O)(=O)CCCC(=O)O)cc1.
What is the InChIKey of 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid?
The InChIKey is IWCNWUKCKLCGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c12-20(16,17)8-9-3-5-10(6-4-9)13-21(18,19)7-1-2-11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)(H2,12,16,17).
What are the key properties of 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid?
4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid has a molecular weight of 336.39 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43715118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).