(3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide

C18H19ClN2O4S — CID 11349945

IUPAC(3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide
SMILESO=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1
InChIKeyXBJDUGZISLIDRA-QGZVFWFLSA-N
MW394.88 g/mol
LogP2.81
Rot. Bonds4

About (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide

(3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide (PubChem CID 11349945) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide
PubChem CID11349945
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name(3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide
SMILESO=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1
InChIKeyXBJDUGZISLIDRA-QGZVFWFLSA-N
XLogP2.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.81
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'}

Analyze (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-2-{[4-(4-tert-butylphenyl)phenyl]methyl}-N-hydroxy-1,1-dioxo-1$l^{6},2-thiazinane-3-carboxamide
CID 11441438
(3R)-2-(1,1-biphenyl-4-ylmethyl)-N-hydroxyisothiazolidine-3-carboxamide 1,1-dioxide
CID 10269131
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-propan-2-ylphenyl)methyl]amino]-4-methylpentanamide
CID 71456882
N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide
CID 9841168
(3R)-2-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10813119
2-(2-{[(3S)-4-(benzylsulfonyl)-3-methylpiperazin-1-yl]methyl}-4-chlorophenyl)-N-(methylsulfonyl)acetamide
CID 16678606
N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)(phenyl)methanesulfonamide
CID 57888688
hydroxamate deriv. B8
CID 23645794
2-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 23523881
(2R)-1-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-N-hydroxypiperidine-2-carboxamide
CID 44351302
2-[(3,5-dichloro-1,1-biphenyl-4-yl)methyl]-N-hydroxyisothiazolidine-3-carboxamide 1,1-dioxide
CID 11373358
4-[[4-(4-chloro-2-fluorophenyl)-3-fluorophenyl]methylamino]-N-hydroxy-1,1-dioxothiane-4-carboxamide
CID 117625797

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
The IUPAC name of (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide (CID 11349945) is (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide.
What is the SMILES notation for (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
The canonical SMILES for (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide is O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
The InChIKey is XBJDUGZISLIDRA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1.
What are the key properties of (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
(3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[[4-(4-chlorophenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide is sourced from PubChem (CID 11349945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).