4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C10H8ClN3O5S — CID 81170213

IUPAC4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCc2ccon2)ccc1Cl
InChIInChI=1S/C10H8ClN3O5S/c11-9-2-1-8(5-10(9)14(15)16)20(17,18)12-6-7-3-4-19-13-7/h1-5,12H,6H2
InChIKeyZOKNMCVSDNCINV-UHFFFAOYSA-N
MW317.71 g/mol
LogP1.71
Rot. Bonds5

About 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 81170213) has the molecular formula C10H8ClN3O5S and a molecular weight of 317.71 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID81170213
Molecular FormulaC10H8ClN3O5S
Molecular Weight317.71 g/mol
Exact Mass316.99
IUPAC Name4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCc2ccon2)ccc1Cl
InChIInChI=1S/C10H8ClN3O5S/c11-9-2-1-8(5-10(9)14(15)16)20(17,18)12-6-7-3-4-19-13-7/h1-5,12H,6H2
InChIKeyZOKNMCVSDNCINV-UHFFFAOYSA-N
XLogP1.71
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 51.71
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'}

Analyze 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide 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

4-chloro-3-nitro-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784357
4-chloro-N-(2-chloroethyl)-3-nitrobenzenesulfonamide
CID 61288897
4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 62524044
4-chloro-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61004535
4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 61047273
[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid
CID 22179300
4-chloro-N-[(1-methylpyrrol-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 106390737
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 106415843
4-[[(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 108783391
3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 7062896
4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81173742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 81170213) is 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccon2)ccc1Cl.
What is the InChIKey of 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZOKNMCVSDNCINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O5S/c11-9-2-1-8(5-10(9)14(15)16)20(17,18)12-6-7-3-4-19-13-7/h1-5,12H,6H2.
What are the key properties of 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 317.71 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81170213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).