(2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide

C18H27Cl2N3O5S — CID 162656342

IUPAC(2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](CC(C)C)C(=O)NO
InChIInChI=1S/C18H27Cl2N3O5S/c1-5-11(4)16(18(25)21-15(6-10(2)3)17(24)22-26)23-29(27,28)14-8-12(19)7-13(20)9-14/h7-11,15-16,23,26H,5-6H2,1-4H3,(H,21,25)(H,22,24)/t11-,15-,16-/m0/s1
InChIKeySIWREADTPVNDKQ-UVBJJODRSA-N
MW468.40 g/mol
LogP2.72
Rot. Bonds10

About (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide

(2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide (PubChem CID 162656342) has the molecular formula C18H27Cl2N3O5S and a molecular weight of 468.40 g/mol. Its IUPAC name is (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide
PubChem CID162656342
Molecular FormulaC18H27Cl2N3O5S
Molecular Weight468.40 g/mol
Exact Mass467.10
IUPAC Name(2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](CC(C)C)C(=O)NO
InChIInChI=1S/C18H27Cl2N3O5S/c1-5-11(4)16(18(25)21-15(6-10(2)3)17(24)22-26)23-29(27,28)14-8-12(19)7-13(20)9-14/h7-11,15-16,23,26H,5-6H2,1-4H3,(H,21,25)(H,22,24)/t11-,15-,16-/m0/s1
InChIKeySIWREADTPVNDKQ-UVBJJODRSA-N
XLogP2.72
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide
CID 155884494
Bes(3,5-diCl)-Ile-Nva-NHOH
CID 155884495
(2R,3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10602511
(2S,3S)-3-(3,5-dichlorophenyl)sulfanyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 11799315
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11111892
2-((S)-2-(3,5-dichloro-N-methylphenylsulfonamido)-3-methylbutanamido)cyclohexanecarboxylic acid
CID 44430332
4-chloro-N-(3-methylbutyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444081
(2R,3S)-3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10530046
(S)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-4-methyl-pentanoic acid
CID 44370875
(R)-3-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-4-methyl-pentanoic acid
CID 44371047
2-(4-Chloro-benzenesulfonylamino)-N-(1-formyl-3-methyl-butyl)-3-methyl-butyramide
CID 44381745
4-chloro-N-(5-methylhexyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444083

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide (CID 162656342) is (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](CC(C)C)C(=O)NO.
What is the InChIKey of (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
The InChIKey is SIWREADTPVNDKQ-UVBJJODRSA-N. The full InChI is InChI=1S/C18H27Cl2N3O5S/c1-5-11(4)16(18(25)21-15(6-10(2)3)17(24)22-26)23-29(27,28)14-8-12(19)7-13(20)9-14/h7-11,15-16,23,26H,5-6H2,1-4H3,(H,21,25)(H,22,24)/t11-,15-,16-/m0/s1.
What are the key properties of (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
(2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide has a molecular weight of 468.40 g/mol, XLogP of 2.72, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 162656342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).