2-(2-propylsulfonylanilino)hexanoic acid

C15H23NO4S — CID 43470254

IUPAC2-(2-propylsulfonylanilino)hexanoic acid
SMILESCCCCC(Nc1ccccc1S(=O)(=O)CCC)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-3-5-8-13(15(17)18)16-12-9-6-7-10-14(12)21(19,20)11-4-2/h6-7,9-10,13,16H,3-5,8,11H2,1-2H3,(H,17,18)
InChIKeyOSRPAPYBCOYRDL-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.93
Rot. Bonds9

About 2-(2-propylsulfonylanilino)hexanoic acid

2-(2-propylsulfonylanilino)hexanoic acid (PubChem CID 43470254) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(2-propylsulfonylanilino)hexanoic acid.

Molecular Properties

Compound Name2-(2-propylsulfonylanilino)hexanoic acid
PubChem CID43470254
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-(2-propylsulfonylanilino)hexanoic acid
SMILESCCCCC(Nc1ccccc1S(=O)(=O)CCC)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-3-5-8-13(15(17)18)16-12-9-6-7-10-14(12)21(19,20)11-4-2/h6-7,9-10,13,16H,3-5,8,11H2,1-2H3,(H,17,18)
InChIKeyOSRPAPYBCOYRDL-UHFFFAOYSA-N
XLogP2.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-propylsulfonylanilino)hexanoic acid
CID 82846703
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
3-methyl-2-[(2-propylsulfonylanilino)methyl]butanoic acid
CID 65226606
2-(2-phenylanilino)decanoic acid
CID 172791149
2-(2-chloroanilino)nonanoic acid
CID 63524442
2-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 103233518
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
N-ethyl-2-propylsulfonylaniline
CID 43453634
2-(2-bromo-3-chloroanilino)hexanoic acid
CID 103480450
(2S)-2-[[2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 120615522

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylanilino)hexanoic acid?
The IUPAC name of 2-(2-propylsulfonylanilino)hexanoic acid (CID 43470254) is 2-(2-propylsulfonylanilino)hexanoic acid.
What is the SMILES notation for 2-(2-propylsulfonylanilino)hexanoic acid?
The canonical SMILES for 2-(2-propylsulfonylanilino)hexanoic acid is CCCCC(Nc1ccccc1S(=O)(=O)CCC)C(=O)O.
What is the InChIKey of 2-(2-propylsulfonylanilino)hexanoic acid?
The InChIKey is OSRPAPYBCOYRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-5-8-13(15(17)18)16-12-9-6-7-10-14(12)21(19,20)11-4-2/h6-7,9-10,13,16H,3-5,8,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-propylsulfonylanilino)hexanoic acid?
2-(2-propylsulfonylanilino)hexanoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylanilino)hexanoic acid is sourced from PubChem (CID 43470254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).