5-[(3-chlorophenyl)sulfonylamino]hexanoic acid

C12H16ClNO4S — CID 82854503

IUPAC5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-9(4-2-7-12(15)16)14-19(17,18)11-6-3-5-10(13)8-11/h3,5-6,8-9,14H,2,4,7H2,1H3,(H,15,16)
InChIKeyARKYDAZPOPYPIB-UHFFFAOYSA-N
MW305.78 g/mol
LogP2.26
Rot. Bonds7

About 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid

5-[(3-chlorophenyl)sulfonylamino]hexanoic acid (PubChem CID 82854503) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
PubChem CID82854503
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-9(4-2-7-12(15)16)14-19(17,18)11-6-3-5-10(13)8-11/h3,5-6,8-9,14H,2,4,7H2,1H3,(H,15,16)
InChIKeyARKYDAZPOPYPIB-UHFFFAOYSA-N
XLogP2.26
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
CID 83180571
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 82846463
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid (CID 82854503) is 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
The InChIKey is ARKYDAZPOPYPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-9(4-2-7-12(15)16)14-19(17,18)11-6-3-5-10(13)8-11/h3,5-6,8-9,14H,2,4,7H2,1H3,(H,15,16).
What are the key properties of 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid has a molecular weight of 305.78 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 82854503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).