2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C10H8ClN3O5S — CID 106415861

IUPAC2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccno2)c1
InChIInChI=1S/C10H8ClN3O5S/c11-9-2-1-7(14(15)16)5-10(9)20(17,18)13-6-8-3-4-12-19-8/h1-5,13H,6H2
InChIKeyAISFVTAKGOTKBQ-UHFFFAOYSA-N
MW317.71 g/mol
LogP1.71
Rot. Bonds5

About 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106415861) has the molecular formula C10H8ClN3O5S and a molecular weight of 317.71 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106415861
Molecular FormulaC10H8ClN3O5S
Molecular Weight317.71 g/mol
Exact Mass316.99
IUPAC Name2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccno2)c1
InChIInChI=1S/C10H8ClN3O5S/c11-9-2-1-7(14(15)16)5-10(9)20(17,18)13-6-8-3-4-12-19-8/h1-5,13H,6H2
InChIKeyAISFVTAKGOTKBQ-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'}

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Related Compounds

2-chloro-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61074126
5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 104600366
N-[(4-bromothiophen-2-yl)methyl]-2-chloro-5-nitrobenzenesulfonamide
CID 61067754
2-chloro-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 7995386
2-chloro-N-(2-methylsulfonylethyl)-5-nitrobenzenesulfonamide
CID 60918252
2-iodo-4-nitro-N-(1,2-oxazol-5-ylmethyl)aniline
CID 106419092
N-(2-bromoprop-2-enyl)-2-chloro-5-nitrobenzenesulfonamide
CID 113465015
2-chloro-N-(5-hydroxypentyl)-5-nitrobenzenesulfonamide
CID 107317208
2-chloro-N-(3-methylsulfonylpropyl)-5-nitrobenzenesulfonamide
CID 61045978
2-chloro-5-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63711095
(2S)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 107835207
2-chloro-N-(5-methylhexyl)-5-nitrobenzenesulfonamide
CID 115325250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106415861) is 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccno2)c1.
What is the InChIKey of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is AISFVTAKGOTKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O5S/c11-9-2-1-7(14(15)16)5-10(9)20(17,18)13-6-8-3-4-12-19-8/h1-5,13H,6H2.
What are the key properties of 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
2-chloro-5-nitro-N-(1,2-oxazol-5-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 2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106415861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).