4-[butyl(phenyl)sulfamoyl]butanoic acid

C14H21NO4S — CID 43619879

IUPAC4-[butyl(phenyl)sulfamoyl]butanoic acid
SMILESCCCCN(c1ccccc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-2-3-11-15(13-8-5-4-6-9-13)20(18,19)12-7-10-14(16)17/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,17)
InChIKeyVFROGABGEIYCLO-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.49
Rot. Bonds9

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

4-[butyl(phenyl)sulfamoyl]butanoic acid (PubChem CID 43619879) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[butyl(phenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[butyl(phenyl)sulfamoyl]butanoic acid
PubChem CID43619879
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-[butyl(phenyl)sulfamoyl]butanoic acid
SMILESCCCCN(c1ccccc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-2-3-11-15(13-8-5-4-6-9-13)20(18,19)12-7-10-14(16)17/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,17)
InChIKeyVFROGABGEIYCLO-UHFFFAOYSA-N
XLogP2.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-chloro-N-phenylpropane-1-sulfonamide
CID 43654480
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 64586372
3-[N-(2-methylsulfonylethylsulfonyl)anilino]propanoic acid
CID 63245389
4-[ethyl(phenyl)sulfamoyl]butanoyl chloride
CID 28704851
4-(N-(2-methoxy-2-oxoethyl)sulfonylanilino)butanoic acid
CID 61357397
4-[benzyl(propyl)sulfamoyl]butanoic acid
CID 43173076
4-(N-ethylsulfonyl-3-iodoanilino)butanoic acid
CID 50891191
4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid
CID 28513979
2-(N-(4-methoxy-4-oxobutyl)sulfonylanilino)acetic acid
CID 61457220
4-(2-chloro-N-ethylsulfonylanilino)butanoic acid
CID 50889817

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(phenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[butyl(phenyl)sulfamoyl]butanoic acid (CID 43619879) is 4-[butyl(phenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[butyl(phenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[butyl(phenyl)sulfamoyl]butanoic acid is CCCCN(c1ccccc1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[butyl(phenyl)sulfamoyl]butanoic acid?
The InChIKey is VFROGABGEIYCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-3-11-15(13-8-5-4-6-9-13)20(18,19)12-7-10-14(16)17/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,17).
What are the key properties of 4-[butyl(phenyl)sulfamoyl]butanoic acid?
4-[butyl(phenyl)sulfamoyl]butanoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(phenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43619879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).