(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide

C16H17ClN2O6S — CID 24955511

IUPAC(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide
SMILESCS(=O)(=O)N(C[C@H](O)C(=O)NO)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O6S/c1-26(23,24)19(10-15(20)16(21)18-22)12-4-8-14(9-5-12)25-13-6-2-11(17)3-7-13/h2-9,15,20,22H,10H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyJZEPJLQIDIDDKA-HNNXBMFYSA-N
MW400.84 g/mol
LogP1.76
Rot. Bonds7

About (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide

(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide (PubChem CID 24955511) has the molecular formula C16H17ClN2O6S and a molecular weight of 400.84 g/mol. Its IUPAC name is (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide.

Molecular Properties

Compound Name(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide
PubChem CID24955511
Molecular FormulaC16H17ClN2O6S
Molecular Weight400.84 g/mol
Exact Mass400.05
IUPAC Name(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide
SMILESCS(=O)(=O)N(C[C@H](O)C(=O)NO)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O6S/c1-26(23,24)19(10-15(20)16(21)18-22)12-4-8-14(9-5-12)25-13-6-2-11(17)3-7-13/h2-9,15,20,22H,10H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyJZEPJLQIDIDDKA-HNNXBMFYSA-N
XLogP1.76
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-2-(cis-2,6-dimethylmorpholino)-N-hydroxypropanamide
CID 24954431
(S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)methan-8-ylsulfonamido)propanamide
CID 24806172
(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propan-2-ylsulfonylanilino]propanamide
CID 24806173
(S)-N,2-dihydroxy-3-(N-(4-(4-(trifluoromethyl)phenoxy)phenyl)methan-15-ylsulfonamido)propanamide
CID 24952674
(S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsulfonamido)-N-hydroxy-2-morpholinopropanamide
CID 24954070
N-Hydroxy (2S)-2-methoxy-3-{N-[4-(4-methylphenoxy)phenyl],N-methanesulfonylamino}propionamide
CID 24955857
(2R)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24955861
(2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-propylsulfonylanilino]propanamide
CID 24956227
(2R)-N-hydroxy-2-methoxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24956228
(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-N,2-dihydroxypropanamide
CID 24956580
(2S)-3-[N-ethylsulfonyl-4-(4-methylphenoxy)anilino]-N,2-dihydroxypropanamide
CID 24956581
(2S)-N,2-dihydroxy-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 44454612

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide?
The IUPAC name of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide (CID 24955511) is (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide.
What is the SMILES notation for (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide?
The canonical SMILES for (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide is CS(=O)(=O)N(C[C@H](O)C(=O)NO)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide?
The InChIKey is JZEPJLQIDIDDKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2O6S/c1-26(23,24)19(10-15(20)16(21)18-22)12-4-8-14(9-5-12)25-13-6-2-11(17)3-7-13/h2-9,15,20,22H,10H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide?
(2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide has a molecular weight of 400.84 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(4-chlorophenoxy)-N-methylsulfonylanilino]-N,2-dihydroxypropanamide is sourced from PubChem (CID 24955511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).