2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide

C9H6Br2N2O3S — CID 55125549

IUPAC2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnoc1)c1ccc(Br)cc1Br
InChIInChI=1S/C9H6Br2N2O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H
InChIKeyDSRMUIVARIELHH-UHFFFAOYSA-N
MW382.03 g/mol
LogP3.00
Rot. Bonds3

About 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide

2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 55125549) has the molecular formula C9H6Br2N2O3S and a molecular weight of 382.03 g/mol. Its IUPAC name is 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID55125549
Molecular FormulaC9H6Br2N2O3S
Molecular Weight382.03 g/mol
Exact Mass379.85
IUPAC Name2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnoc1)c1ccc(Br)cc1Br
InChIInChI=1S/C9H6Br2N2O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H
InChIKeyDSRMUIVARIELHH-UHFFFAOYSA-N
XLogP3.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.03
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 62904170
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 55125549) is 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cnoc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is DSRMUIVARIELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O3S/c10-6-1-2-9(8(11)3-6)17(14,15)13-7-4-12-16-5-7/h1-5,13H.
What are the key properties of 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 382.03 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 55125549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).