2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid

C14H21NO4S — CID 64568245

IUPAC2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-10(2)11(3)9-15-20(18,19)13-6-4-12(5-7-13)8-14(16)17/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyWYGKVLHLSXGZEF-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.88
Rot. Bonds7

About 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid

2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid (PubChem CID 64568245) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
PubChem CID64568245
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-10(2)11(3)9-15-20(18,19)13-6-4-12(5-7-13)8-14(16)17/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyWYGKVLHLSXGZEF-UHFFFAOYSA-N
XLogP1.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
CID 62694334
2-[4-(2-cyanopropylsulfamoyl)phenyl]acetic acid
CID 62668415
4-(cyanomethyl)-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 79195635
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
2-[4-[(5-hydroxy-4-methylpentyl)sulfamoyl]phenyl]acetic acid
CID 106155951
4-(2,3-dimethylbutylsulfamoyl)benzenecarbothioamide
CID 64597912
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
CID 14536982
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
CID 61464585
methyl 2-[4-(2-methylsulfanylpropylsulfamoyl)phenyl]acetate
CID 115756345
2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid
CID 167947922

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid (CID 64568245) is 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid is CC(C)C(C)CNS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid?
The InChIKey is WYGKVLHLSXGZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10(2)11(3)9-15-20(18,19)13-6-4-12(5-7-13)8-14(16)17/h4-7,10-11,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid?
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid has a molecular weight of 299.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 64568245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).