(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide

C17H27BrN2O4S — CID 24759242

IUPAC(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)(C)C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O4S/c1-12(2)9-10-20(15(16(21)19-22)17(3,4)5)25(23,24)14-8-6-7-13(18)11-14/h6-8,11-12,15,22H,9-10H2,1-5H3,(H,19,21)/t15-/m0/s1
InChIKeyFSLZREYQJOLUJT-HNNXBMFYSA-N
MW435.38 g/mol
LogP3.41
Rot. Bonds7

About (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide

(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide (PubChem CID 24759242) has the molecular formula C17H27BrN2O4S and a molecular weight of 435.38 g/mol. Its IUPAC name is (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide
PubChem CID24759242
Molecular FormulaC17H27BrN2O4S
Molecular Weight435.38 g/mol
Exact Mass434.09
IUPAC Name(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)(C)C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C17H27BrN2O4S/c1-12(2)9-10-20(15(16(21)19-22)17(3,4)5)25(23,24)14-8-6-7-13(18)11-14/h6-8,11-12,15,22H,9-10H2,1-5H3,(H,19,21)/t15-/m0/s1
InChIKeyFSLZREYQJOLUJT-HNNXBMFYSA-N
XLogP3.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
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)-2-[(3-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]-3,3-dimethyl-N-methylidenethallanyloxybutanamide
CID 143559386
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
N-hydroxy-3-methyl-2-[3-methylbutyl-(7-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 76747684
(2R)-N-hydroxy-2-[(7-hydroxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
CID 57394732
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 87289862
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide
CID 44608939
(2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen
CID 143559390
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
(2R)-N-hydroxy-2-[(1-methoxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
CID 58256164
3-[(3-bromophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009872

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide (CID 24759242) is (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide is CC(C)CCN([C@@H](C(=O)NO)C(C)(C)C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide?
The InChIKey is FSLZREYQJOLUJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27BrN2O4S/c1-12(2)9-10-20(15(16(21)19-22)17(3,4)5)25(23,24)14-8-6-7-13(18)11-14/h6-8,11-12,15,22H,9-10H2,1-5H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide?
(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide has a molecular weight of 435.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 24759242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).