2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid

C13H19NO4S — CID 62694334

IUPAC2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
SMILESCCC(C)CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H19NO4S/c1-3-10(2)9-14-19(17,18)12-6-4-11(5-7-12)8-13(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyUPKKUCNRNALKMS-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.64
Rot. Bonds7

About 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid

2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid (PubChem CID 62694334) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
PubChem CID62694334
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
SMILESCCC(C)CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H19NO4S/c1-3-10(2)9-14-19(17,18)12-6-4-11(5-7-12)8-13(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyUPKKUCNRNALKMS-UHFFFAOYSA-N
XLogP1.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylbutylsulfamoyl)phenyl]ethanethioamide
CID 79196538
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[4-(2-cyanopropylsulfamoyl)phenyl]acetic acid
CID 62668415
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
2-[4-[(5-hydroxy-4-methylpentyl)sulfamoyl]phenyl]acetic acid
CID 106155951
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
2-[4-(3-methylbutylsulfonyl)phenyl]acetic acid
CID 43440376
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
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid (CID 62694334) is 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid is CCC(C)CNS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid?
The InChIKey is UPKKUCNRNALKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-10(2)9-14-19(17,18)12-6-4-11(5-7-12)8-13(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid?
2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid has a molecular weight of 285.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 62694334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).