6-[(4-cyanophenyl)sulfonylamino]hexanoic acid

C13H16N2O4S — CID 28530885

IUPAC6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
SMILESN#Cc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C13H16N2O4S/c14-10-11-5-7-12(8-6-11)20(18,19)15-9-3-1-2-4-13(16)17/h5-8,15H,1-4,9H2,(H,16,17)
InChIKeyKEWPSTQDHZYHRA-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.48
Rot. Bonds8

About 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid

6-[(4-cyanophenyl)sulfonylamino]hexanoic acid (PubChem CID 28530885) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
PubChem CID28530885
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
SMILESN#Cc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C13H16N2O4S/c14-10-11-5-7-12(8-6-11)20(18,19)15-9-3-1-2-4-13(16)17/h5-8,15H,1-4,9H2,(H,16,17)
InChIKeyKEWPSTQDHZYHRA-UHFFFAOYSA-N
XLogP1.48
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
7-[(3,5-difluorophenyl)sulfonylamino]heptanoic acid
CID 43241563
7-[(3,5-dimethylphenyl)sulfonylamino]heptanoic acid
CID 60640044
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
CID 16788289
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid (CID 28530885) is 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid is N#Cc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid?
The InChIKey is KEWPSTQDHZYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-10-11-5-7-12(8-6-11)20(18,19)15-9-3-1-2-4-13(16)17/h5-8,15H,1-4,9H2,(H,16,17).
What are the key properties of 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid?
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid has a molecular weight of 296.35 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 28530885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).