(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

C16H16N2O6S2 — CID 57384091

IUPAC(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
InChIKeyVVEIZVKRPYJCPP-HNNXBMFYSA-N
MW396.45 g/mol
LogP0.60
Rot. Bonds4

About (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 57384091) has the molecular formula C16H16N2O6S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
PubChem CID57384091
Molecular FormulaC16H16N2O6S2
Molecular Weight396.45 g/mol
Exact Mass396.04
IUPAC Name(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
InChIKeyVVEIZVKRPYJCPP-HNNXBMFYSA-N
XLogP0.60
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
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

(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 11004130
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
2-(benzenesulfonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 23523894
(3R)-2-[4-[4-(dimethylamino)phenyl]phenyl]sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 11797863
(2R,4R)-4-benzamido-N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 152761174
(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 141017724
N-hydroxy-2-(4-phenylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxamide
CID 25118880
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
(2R,3aR,6aR)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751645
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 10552476
4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
CID 162661004
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229

Frequently Asked Questions

What is the IUPAC name of (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (CID 57384091) is (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is O=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is VVEIZVKRPYJCPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1.
What are the key properties of (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-1,1-dioxo-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 57384091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).