N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide

C10H7BrCl2N2O3S — CID 18617376

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1Br
InChIInChI=1S/C10H7BrCl2N2O3S/c1-5-8(11)10(18-14-5)15-19(16,17)7-4-2-3-6(12)9(7)13/h2-4,15H,1H3
InChIKeyJIULSYUGFUCDLB-UHFFFAOYSA-N
MW386.05 g/mol
LogP3.85
Rot. Bonds3

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide (PubChem CID 18617376) has the molecular formula C10H7BrCl2N2O3S and a molecular weight of 386.05 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
PubChem CID18617376
Molecular FormulaC10H7BrCl2N2O3S
Molecular Weight386.05 g/mol
Exact Mass383.87
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1Br
InChIInChI=1S/C10H7BrCl2N2O3S/c1-5-8(11)10(18-14-5)15-19(16,17)7-4-2-3-6(12)9(7)13/h2-4,15H,1H3
InChIKeyJIULSYUGFUCDLB-UHFFFAOYSA-N
XLogP3.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.05
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 18617286
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376
2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 136531805
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide
CID 10714421
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
CID 174364946
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 15453209
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
CID 54011826
N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
CID 103816094
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 18617344
N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
CID 59168221
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide
CID 23445288

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide (CID 18617376) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide is Cc1noc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is JIULSYUGFUCDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O3S/c1-5-8(11)10(18-14-5)15-19(16,17)7-4-2-3-6(12)9(7)13/h2-4,15H,1H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 386.05 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 18617376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).