3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid

C13H17NO4S — CID 113420004

IUPAC3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO4S/c1-9(8-13(15)16)10-2-4-11(5-3-10)14-19(17,18)12-6-7-12/h2-5,9,12,14H,6-8H2,1H3,(H,15,16)
InChIKeyHPQBIYHYOGCHOB-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.17
Rot. Bonds6

About 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid

3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid (PubChem CID 113420004) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid
PubChem CID113420004
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C13H17NO4S/c1-9(8-13(15)16)10-2-4-11(5-3-10)14-19(17,18)12-6-7-12/h2-5,9,12,14H,6-8H2,1H3,(H,15,16)
InChIKeyHPQBIYHYOGCHOB-UHFFFAOYSA-N
XLogP2.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(cyclopropylsulfonylamino)phenyl]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

N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide
CID 64553254
N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
CID 64553467
3-[4-(1-cyanoethylsulfonylamino)phenyl]butanoic acid
CID 104501871
3-[4-(propan-2-ylamino)phenyl]butanoic acid
CID 104503331
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013
N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide
CID 62047895
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
CID 64552602
3-[4-(2-ethylbutanoylamino)phenyl]butanoic acid
CID 104501817
4-[4-(propylsulfonylamino)phenyl]pentanoic acid
CID 115420755
3-[4-(thiolan-3-ylcarbamoylamino)phenyl]butanoic acid
CID 103064164

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid?
The IUPAC name of 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid (CID 113420004) is 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid is CC(CC(=O)O)c1ccc(NS(=O)(=O)C2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid?
The InChIKey is HPQBIYHYOGCHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(8-13(15)16)10-2-4-11(5-3-10)14-19(17,18)12-6-7-12/h2-5,9,12,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid?
3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid has a molecular weight of 283.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid is sourced from PubChem (CID 113420004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).