5-(2-propylsulfonylanilino)hexanoic acid

C15H23NO4S — CID 82846703

IUPAC5-(2-propylsulfonylanilino)hexanoic acid
SMILESCCCS(=O)(=O)c1ccccc1NC(C)CCCC(=O)O
InChIInChI=1S/C15H23NO4S/c1-3-11-21(19,20)14-9-5-4-8-13(14)16-12(2)7-6-10-15(17)18/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyALTUTELDODJOCJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.93
Rot. Bonds9

About 5-(2-propylsulfonylanilino)hexanoic acid

5-(2-propylsulfonylanilino)hexanoic acid (PubChem CID 82846703) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-(2-propylsulfonylanilino)hexanoic acid.

Molecular Properties

Compound Name5-(2-propylsulfonylanilino)hexanoic acid
PubChem CID82846703
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name5-(2-propylsulfonylanilino)hexanoic acid
SMILESCCCS(=O)(=O)c1ccccc1NC(C)CCCC(=O)O
InChIInChI=1S/C15H23NO4S/c1-3-11-21(19,20)14-9-5-4-8-13(14)16-12(2)7-6-10-15(17)18/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeyALTUTELDODJOCJ-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

2-(2-propylsulfonylanilino)hexanoic acid
CID 43470254
N-(4-bromopentan-2-yl)-2-propylsulfonylaniline
CID 113376687
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
N-hexan-2-yl-2-(trifluoromethylsulfonyl)aniline
CID 63541038
3-methyl-2-[(2-propylsulfonylanilino)methyl]butanoic acid
CID 65226606
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
CID 66107946
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
N-ethyl-2-propylsulfonylaniline
CID 43453634
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-(6-methylheptan-2-yl)-2-methylsulfonylaniline
CID 61472578
1-methyl-3-(2-propylsulfonylphenyl)urea
CID 117061578

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylsulfonylanilino)hexanoic acid?
The IUPAC name of 5-(2-propylsulfonylanilino)hexanoic acid (CID 82846703) is 5-(2-propylsulfonylanilino)hexanoic acid.
What is the SMILES notation for 5-(2-propylsulfonylanilino)hexanoic acid?
The canonical SMILES for 5-(2-propylsulfonylanilino)hexanoic acid is CCCS(=O)(=O)c1ccccc1NC(C)CCCC(=O)O.
What is the InChIKey of 5-(2-propylsulfonylanilino)hexanoic acid?
The InChIKey is ALTUTELDODJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-11-21(19,20)14-9-5-4-8-13(14)16-12(2)7-6-10-15(17)18/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 5-(2-propylsulfonylanilino)hexanoic acid?
5-(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 5-(2-propylsulfonylanilino)hexanoic acid is sourced from PubChem (CID 82846703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).