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

C10H8BrN3O5S — CID 104600366

IUPAC5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C10H8BrN3O5S/c11-7-1-2-9(14(15)16)10(5-7)20(17,18)13-6-8-3-4-12-19-8/h1-5,13H,6H2
InChIKeyIHMWWEQUJFDMHO-UHFFFAOYSA-N
MW362.16 g/mol
LogP1.82
Rot. Bonds5

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

5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 104600366) has the molecular formula C10H8BrN3O5S and a molecular weight of 362.16 g/mol. Its IUPAC name is 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID104600366
Molecular FormulaC10H8BrN3O5S
Molecular Weight362.16 g/mol
Exact Mass360.94
IUPAC Name5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C10H8BrN3O5S/c11-7-1-2-9(14(15)16)10(5-7)20(17,18)13-6-8-3-4-12-19-8/h1-5,13H,6H2
InChIKeyIHMWWEQUJFDMHO-UHFFFAOYSA-N
XLogP1.82
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 51.82
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

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 61069071
5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 61052286
2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106415861
5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423571
5-bromo-N-[2-(methanesulfonamido)ethyl]-2-nitrobenzenesulfonamide
CID 61016762
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
N-(4-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 120583812
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62196825
N-[2-[methyl(1,2-oxazol-5-ylmethyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 167784679
2-[(5-bromo-2-nitrophenyl)sulfonylamino]ethylurea
CID 83110096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 104600366) is 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is IHMWWEQUJFDMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O5S/c11-7-1-2-9(14(15)16)10(5-7)20(17,18)13-6-8-3-4-12-19-8/h1-5,13H,6H2.
What are the key properties of 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 362.16 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 104600366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).