5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid

C13H15ClN2O4S — CID 82846463

IUPAC5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O4S/c1-9(3-2-4-13(17)18)16-21(19,20)12-7-11(14)6-5-10(12)8-15/h5-7,9,16H,2-4H2,1H3,(H,17,18)
InChIKeyMYNXVSPGVMVUQF-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.13
Rot. Bonds7

About 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid

5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid (PubChem CID 82846463) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
PubChem CID82846463
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O4S/c1-9(3-2-4-13(17)18)16-21(19,20)12-7-11(14)6-5-10(12)8-15/h5-7,9,16H,2-4H2,1H3,(H,17,18)
InChIKeyMYNXVSPGVMVUQF-UHFFFAOYSA-N
XLogP2.13
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic 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

5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43245317
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
5-chloro-2-cyano-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255611
5-chloro-2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833845
4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid
CID 43245320
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid (CID 82846463) is 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid?
The InChIKey is MYNXVSPGVMVUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-9(3-2-4-13(17)18)16-21(19,20)12-7-11(14)6-5-10(12)8-15/h5-7,9,16H,2-4H2,1H3,(H,17,18).
What are the key properties of 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid?
5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid has a molecular weight of 330.79 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 82846463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).