2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide

C13H10BrF2NO3S — CID 40645404

IUPAC2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C13H10BrF2NO3S/c1-20-10-4-2-9(3-5-10)17-21(18,19)13-11(14)6-8(15)7-12(13)16/h2-7,17H,1H3
InChIKeyADVJHUUOGYFBQV-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.54
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 40645404) has the molecular formula C13H10BrF2NO3S and a molecular weight of 378.19 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID40645404
Molecular FormulaC13H10BrF2NO3S
Molecular Weight378.19 g/mol
Exact Mass376.95
IUPAC Name2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C13H10BrF2NO3S/c1-20-10-4-2-9(3-5-10)17-21(18,19)13-11(14)6-8(15)7-12(13)16/h2-7,17H,1H3
InChIKeyADVJHUUOGYFBQV-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 22465610
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25342673
4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485022
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775763
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
CID 54199347
1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea
CID 2209375

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 40645404) is 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is ADVJHUUOGYFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO3S/c1-20-10-4-2-9(3-5-10)17-21(18,19)13-11(14)6-8(15)7-12(13)16/h2-7,17H,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 378.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 40645404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).