(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide

C12H17ClN2O4S — CID 131856473

IUPAC(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
SMILESCCCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NO
InChIInChI=1S/C12H17ClN2O4S/c1-2-3-7-11(12(16)14-17)15-20(18,19)10-6-4-5-9(13)8-10/h4-6,8,11,15,17H,2-3,7H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyBBNOAYAMRNFOED-LLVKDONJSA-N
MW320.80 g/mol
LogP1.68
Rot. Bonds7

About (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide

(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide (PubChem CID 131856473) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
PubChem CID131856473
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
SMILESCCCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NO
InChIInChI=1S/C12H17ClN2O4S/c1-2-3-7-11(12(16)14-17)15-20(18,19)10-6-4-5-9(13)8-10/h4-6,8,11,15,17H,2-3,7H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyBBNOAYAMRNFOED-LLVKDONJSA-N
XLogP1.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
3-chloro-N-[(3S,4S)-5-hydroxy-3-methylnonan-4-yl]benzenesulfonamide
CID 21078493
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
(2R)-2-[(3-chlorophenyl)sulfonylamino]pentanedioate
CID 2476101
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
2-[[2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]hexanoic acid
CID 20610235
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
3-chloro-N-[2-hydroxyethylsulfanyl(propylamino)methyl]benzenesulfonamide
CID 166135622
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide (CID 131856473) is (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide is CCCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NO.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide?
The InChIKey is BBNOAYAMRNFOED-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-2-3-7-11(12(16)14-17)15-20(18,19)10-6-4-5-9(13)8-10/h4-6,8,11,15,17H,2-3,7H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide?
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide has a molecular weight of 320.80 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 131856473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).