2-[(2-cyanophenyl)sulfonylamino]hexanoic acid

C13H16N2O4S — CID 43386741

IUPAC2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccccc1C#N)C(=O)O
InChIInChI=1S/C13H16N2O4S/c1-2-3-7-11(13(16)17)15-20(18,19)12-8-5-4-6-10(12)9-14/h4-6,8,11,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyFVBQSYSDGPPYRE-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.48
Rot. Bonds7

About 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid

2-[(2-cyanophenyl)sulfonylamino]hexanoic acid (PubChem CID 43386741) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
PubChem CID43386741
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccccc1C#N)C(=O)O
InChIInChI=1S/C13H16N2O4S/c1-2-3-7-11(13(16)17)15-20(18,19)12-8-5-4-6-10(12)9-14/h4-6,8,11,15H,2-3,7H2,1H3,(H,16,17)
InChIKeyFVBQSYSDGPPYRE-UHFFFAOYSA-N
XLogP1.48
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-cyanophenyl)sulfonylamino]pentanedioic acid
CID 61143430
(2S)-2-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoic acid
CID 107144955
(2S)-2-[(2-cyano-3-fluorophenyl)sulfonylamino]hexanoic acid
CID 104934664
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
CID 14029644
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)hexanoic acid
CID 104934694
(2S)-2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]hexanoic acid
CID 104934657
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934720
(2S)-2-[(3-cyanophenyl)methylsulfonylamino]hexanoic acid
CID 104934659

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid (CID 43386741) is 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1ccccc1C#N)C(=O)O.
What is the InChIKey of 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid?
The InChIKey is FVBQSYSDGPPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-2-3-7-11(13(16)17)15-20(18,19)12-8-5-4-6-10(12)9-14/h4-6,8,11,15H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid?
2-[(2-cyanophenyl)sulfonylamino]hexanoic acid has a molecular weight of 296.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43386741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).