2-[(3-chlorophenyl)sulfonylamino]hexanoic acid

C12H16ClNO4S — CID 43386716

IUPAC2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H16ClNO4S/c1-2-3-7-11(12(15)16)14-19(17,18)10-6-4-5-9(13)8-10/h4-6,8,11,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyCHWVOQDHYNNXIA-UHFFFAOYSA-N
MW305.78 g/mol
LogP2.26
Rot. Bonds7

About 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid

2-[(3-chlorophenyl)sulfonylamino]hexanoic acid (PubChem CID 43386716) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
PubChem CID43386716
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H16ClNO4S/c1-2-3-7-11(12(15)16)14-19(17,18)10-6-4-5-9(13)8-10/h4-6,8,11,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyCHWVOQDHYNNXIA-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

2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
CID 131856473
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
2-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
2-[[2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]hexanoic acid
CID 20610235
3-chloro-N-[(3S,4S)-5-hydroxy-3-methylnonan-4-yl]benzenesulfonamide
CID 21078493
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid (CID 43386716) is 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
The InChIKey is CHWVOQDHYNNXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-2-3-7-11(12(15)16)14-19(17,18)10-6-4-5-9(13)8-10/h4-6,8,11,14H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid?
2-[(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 2-[(3-chlorophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43386716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).