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

C10H8BrClN2O3S — CID 79477882

IUPAC4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccon1)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClN2O3S/c11-7-1-2-10(9(12)5-7)18(15,16)13-6-8-3-4-17-14-8/h1-5,13H,6H2
InChIKeyAVPFWDLOXILHGR-UHFFFAOYSA-N
MW351.61 g/mol
LogP2.57
Rot. Bonds4

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

4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 79477882) has the molecular formula C10H8BrClN2O3S and a molecular weight of 351.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID79477882
Molecular FormulaC10H8BrClN2O3S
Molecular Weight351.61 g/mol
Exact Mass349.91
IUPAC Name4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccon1)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClN2O3S/c11-7-1-2-10(9(12)5-7)18(15,16)13-6-8-3-4-17-14-8/h1-5,13H,6H2
InChIKeyAVPFWDLOXILHGR-UHFFFAOYSA-N
XLogP2.57
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.61
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81171163
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683
2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 103989600
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097
5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176900
5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 139003553
2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176902
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60982560
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 79477882) is 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccon1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is AVPFWDLOXILHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O3S/c11-7-1-2-10(9(12)5-7)18(15,16)13-6-8-3-4-17-14-8/h1-5,13H,6H2.
What are the key properties of 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 351.61 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79477882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).