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

C10H8BrClN2O3S — CID 18617374

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(Cl)c2)c1Br
InChIInChI=1S/C10H8BrClN2O3S/c1-6-9(11)10(17-13-6)14-18(15,16)8-4-2-3-7(12)5-8/h2-5,14H,1H3
InChIKeyKZMQHIBFSGTCHI-UHFFFAOYSA-N
MW351.61 g/mol
LogP3.20
Rot. Bonds3

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide (PubChem CID 18617374) has the molecular formula C10H8BrClN2O3S and a molecular weight of 351.61 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
PubChem CID18617374
Molecular FormulaC10H8BrClN2O3S
Molecular Weight351.61 g/mol
Exact Mass349.91
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(Cl)c2)c1Br
InChIInChI=1S/C10H8BrClN2O3S/c1-6-9(11)10(17-13-6)14-18(15,16)8-4-2-3-7(12)5-8/h2-5,14H,1H3
InChIKeyKZMQHIBFSGTCHI-UHFFFAOYSA-N
XLogP3.20
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.61
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
CID 18617376
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)-4-nitrobenzenesulfonamide
CID 18617344
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)-4-(4-methoxyphenyl)benzenesulfonamide
CID 15453187
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
4-(1,3-benzodioxol-5-yl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 162219744
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
CID 174364946

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide (CID 18617374) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide is Cc1noc(NS(=O)(=O)c2cccc(Cl)c2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide?
The InChIKey is KZMQHIBFSGTCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O3S/c1-6-9(11)10(17-13-6)14-18(15,16)8-4-2-3-7(12)5-8/h2-5,14H,1H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide has a molecular weight of 351.61 g/mol, XLogP of 3.20, 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)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 18617374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).