2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

C11H14Cl2N2O4S — CID 134100923

IUPAC2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C11H14Cl2N2O4S/c1-6(2)10(11(16)14-17)15-20(18,19)9-4-7(12)3-8(13)5-9/h3-6,10,15,17H,1-2H3,(H,14,16)
InChIKeyJYJXTXNSMZWNGB-UHFFFAOYSA-N
MW341.22 g/mol
LogP1.80
Rot. Bonds5

About 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 134100923) has the molecular formula C11H14Cl2N2O4S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID134100923
Molecular FormulaC11H14Cl2N2O4S
Molecular Weight341.22 g/mol
Exact Mass340.01
IUPAC Name2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C11H14Cl2N2O4S/c1-6(2)10(11(16)14-17)15-20(18,19)9-4-7(12)3-8(13)5-9/h3-6,10,15,17H,1-2H3,(H,14,16)
InChIKeyJYJXTXNSMZWNGB-UHFFFAOYSA-N
XLogP1.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 51.80
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

(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 6539665
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 87298601
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 122178462
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide
CID 24538514
(2R)-N-hydroxy-3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
CID 10199496
N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydrodibenzothiophen-3-ylsulfonylamino)butanamide
CID 18386316
(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide
CID 54284298
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 24536404
(2S)-2-[(3,5-dichlorophenyl)sulfonylmethylamino]-3-methylbutanoic acid
CID 57014359

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 134100923) is 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is JYJXTXNSMZWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S/c1-6(2)10(11(16)14-17)15-20(18,19)9-4-7(12)3-8(13)5-9/h3-6,10,15,17H,1-2H3,(H,14,16).
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 341.22 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 134100923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).