4-[(4-fluorophenyl)sulfamoyl]butanoic acid

C10H12FNO4S — CID 28513841

IUPAC4-[(4-fluorophenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c11-8-3-5-9(6-4-8)12-17(15,16)7-1-2-10(13)14/h3-6,12H,1-2,7H2,(H,13,14)
InChIKeyNVAISHJYOBNTLQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.43
Rot. Bonds6

About 4-[(4-fluorophenyl)sulfamoyl]butanoic acid

4-[(4-fluorophenyl)sulfamoyl]butanoic acid (PubChem CID 28513841) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfamoyl]butanoic acid
PubChem CID28513841
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name4-[(4-fluorophenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c11-8-3-5-9(6-4-8)12-17(15,16)7-1-2-10(13)14/h3-6,12H,1-2,7H2,(H,13,14)
InChIKeyNVAISHJYOBNTLQ-UHFFFAOYSA-N
XLogP1.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]butanoic acid
CID 43715118
4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
4-[[4-(triazol-2-yl)phenyl]sulfamoyl]butanoic acid
CID 43700019
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
N,N'-bis(4-fluorophenyl)methanedisulfonamide
CID 90121489
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
CID 43708063
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]butanoic acid (CID 28513841) is 4-[(4-fluorophenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(4-fluorophenyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfamoyl]butanoic acid?
The InChIKey is NVAISHJYOBNTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c11-8-3-5-9(6-4-8)12-17(15,16)7-1-2-10(13)14/h3-6,12H,1-2,7H2,(H,13,14).
What are the key properties of 4-[(4-fluorophenyl)sulfamoyl]butanoic acid?
4-[(4-fluorophenyl)sulfamoyl]butanoic acid has a molecular weight of 261.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28513841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).