3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide

C9H7BrN2O3S — CID 62399730

IUPAC3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnoc1)c1cccc(Br)c1
InChIInChI=1S/C9H7BrN2O3S/c10-7-2-1-3-9(4-7)16(13,14)12-8-5-11-15-6-8/h1-6,12H
InChIKeyOBLANHJDJFBJHB-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.24
Rot. Bonds3

About 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide

3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 62399730) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID62399730
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC Name3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnoc1)c1cccc(Br)c1
InChIInChI=1S/C9H7BrN2O3S/c10-7-2-1-3-9(4-7)16(13,14)12-8-5-11-15-6-8/h1-6,12H
InChIKeyOBLANHJDJFBJHB-UHFFFAOYSA-N
XLogP2.24
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62915619
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 26966432

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 62399730) is 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cnoc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is OBLANHJDJFBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c10-7-2-1-3-9(4-7)16(13,14)12-8-5-11-15-6-8/h1-6,12H.
What are the key properties of 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide?
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 303.14 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 62399730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).