1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide

C19H21N3O6S — CID 18414045

IUPAC1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)C2C(=O)NO)cc1
InChIInChI=1S/C19H21N3O6S/c1-28-15-8-10-16(11-9-15)29(26,27)22-13-5-12-21(18(22)17(23)20-25)19(24)14-6-3-2-4-7-14/h2-4,6-11,18,25H,5,12-13H2,1H3,(H,20,23)
InChIKeyHZCYZKGHAZQADF-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.06
Rot. Bonds5

About 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide

1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide (PubChem CID 18414045) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide
PubChem CID18414045
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)C2C(=O)NO)cc1
InChIInChI=1S/C19H21N3O6S/c1-28-15-8-10-16(11-9-15)29(26,27)22-13-5-12-21(18(22)17(23)20-25)19(24)14-6-3-2-4-7-14/h2-4,6-11,18,25H,5,12-13H2,1H3,(H,20,23)
InChIKeyHZCYZKGHAZQADF-UHFFFAOYSA-N
XLogP1.06
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.06
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

1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
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CID 4229
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
1-(4-methoxyphenyl)sulfonyl-N'-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 42916304
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23798658
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
1-N-benzyl-3-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-N-methylpiperazine-1,3-dicarboxamide
CID 10389610
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-methylpiperazin-1-yl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 101199613
4-benzyl-1-(4-methoxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid
CID 22645039

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide?
The IUPAC name of 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide (CID 18414045) is 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)C2C(=O)NO)cc1.
What is the InChIKey of 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide?
The InChIKey is HZCYZKGHAZQADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-28-15-8-10-16(11-9-15)29(26,27)22-13-5-12-21(18(22)17(23)20-25)19(24)14-6-3-2-4-7-14/h2-4,6-11,18,25H,5,12-13H2,1H3,(H,20,23).
What are the key properties of 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide?
1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide is sourced from PubChem (CID 18414045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).