(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide

C18H21ClN2O4S — CID 122178462

IUPAC(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1)C(=O)NO
InChIInChI=1S/C18H21ClN2O4S/c1-3-12(2)17(18(22)20-23)21-26(24,25)16-6-4-5-14(11-16)13-7-9-15(19)10-8-13/h4-12,17,21,23H,3H2,1-2H3,(H,20,22)/t12-,17-/m0/s1
InChIKeyNDLSXKFXYYCFEY-SJCJKPOMSA-N
MW396.90 g/mol
LogP3.21
Rot. Bonds7

About (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide

(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide (PubChem CID 122178462) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
PubChem CID122178462
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1)C(=O)NO
InChIInChI=1S/C18H21ClN2O4S/c1-3-12(2)17(18(22)20-23)21-26(24,25)16-6-4-5-14(11-16)13-7-9-15(19)10-8-13/h4-12,17,21,23H,3H2,1-2H3,(H,20,22)/t12-,17-/m0/s1
InChIKeyNDLSXKFXYYCFEY-SJCJKPOMSA-N
XLogP3.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.21
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]-3-methylpentanoic acid
CID 43084241
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
(2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide
CID 162673720
(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-hydroxy-3-methylpentanamide
CID 122178463
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
CID 131856473
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 134100923
(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 120666169
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365
(2S,3R)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2341191
3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 22004248

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide (CID 122178462) is (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1)C(=O)NO.
What is the InChIKey of (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
The InChIKey is NDLSXKFXYYCFEY-SJCJKPOMSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-3-12(2)17(18(22)20-23)21-26(24,25)16-6-4-5-14(11-16)13-7-9-15(19)10-8-13/h4-12,17,21,23H,3H2,1-2H3,(H,20,22)/t12-,17-/m0/s1.
What are the key properties of (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide?
(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide has a molecular weight of 396.90 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide is sourced from PubChem (CID 122178462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).