N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide

C10H11N3O6S — CID 53261490

IUPACN-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide
SMILESO=C1OCCCN1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O6S/c14-10-12(6-1-7-19-10)20(17,18)11-8-2-4-9(5-3-8)13(15)16/h2-5,11H,1,6-7H2
InChIKeyYVUABXRJNGWUTP-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.09
Rot. Bonds4

About N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide

N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide (PubChem CID 53261490) has the molecular formula C10H11N3O6S and a molecular weight of 301.28 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide
PubChem CID53261490
Molecular FormulaC10H11N3O6S
Molecular Weight301.28 g/mol
Exact Mass301.04
IUPAC NameN-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide
SMILESO=C1OCCCN1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O6S/c14-10-12(6-1-7-19-10)20(17,18)11-8-2-4-9(5-3-8)13(15)16/h2-5,11H,1,6-7H2
InChIKeyYVUABXRJNGWUTP-UHFFFAOYSA-N
XLogP1.09
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 57355564
4-nitro-N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
CID 142842405
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-nitrobenzenesulfonamide
CID 44964443
N-(4-nitrophenyl)ethanesulfonamide
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3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25043834
1-(4-nitroanilino)pyrrolidin-2-one
CID 3842405
4-bromo-N-[4-(4-nitrophenyl)sulfanylphenyl]benzenesulfonamide
CID 3841575
N-butan-2-yl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 3384458
N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-(4-nitrophenyl)oxan-4-amine
CID 43610359

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide?
The IUPAC name of N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide (CID 53261490) is N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide?
The canonical SMILES for N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide is O=C1OCCCN1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide?
The InChIKey is YVUABXRJNGWUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6S/c14-10-12(6-1-7-19-10)20(17,18)11-8-2-4-9(5-3-8)13(15)16/h2-5,11H,1,6-7H2.
What are the key properties of N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide?
N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide has a molecular weight of 301.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-oxo-1,3-oxazinane-3-sulfonamide is sourced from PubChem (CID 53261490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).