5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide

C10H12BrF2NO3S — CID 115611947

IUPAC5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C10H12BrF2NO3S/c1-14(6-10(12)13)18(15,16)9-5-7(11)3-4-8(9)17-2/h3-5,10H,6H2,1-2H3
InChIKeyWJUMZKYKCIYJJG-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.34
Rot. Bonds5

About 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide

5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 115611947) has the molecular formula C10H12BrF2NO3S and a molecular weight of 344.18 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID115611947
Molecular FormulaC10H12BrF2NO3S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C10H12BrF2NO3S/c1-14(6-10(12)13)18(15,16)9-5-7(11)3-4-8(9)17-2/h3-5,10H,6H2,1-2H3
InChIKeyWJUMZKYKCIYJJG-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide (CID 115611947) is 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(C)CC(F)F.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is WJUMZKYKCIYJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO3S/c1-14(6-10(12)13)18(15,16)9-5-7(11)3-4-8(9)17-2/h3-5,10H,6H2,1-2H3.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide?
5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 344.18 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 115611947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).