N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide

C14H12BrF2NO2S — CID 19683945

IUPACN-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12BrF2NO2S/c1-2-9-7-10(15)3-6-14(9)18-21(19,20)11-4-5-12(16)13(17)8-11/h3-8,18H,2H2,1H3
InChIKeyYXJJWQBQDCNBBM-UHFFFAOYSA-N
MW376.22 g/mol
LogP4.09
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide

N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 19683945) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID19683945
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC NameN-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12BrF2NO2S/c1-2-9-7-10(15)3-6-14(9)18-21(19,20)11-4-5-12(16)13(17)8-11/h3-8,18H,2H2,1H3
InChIKeyYXJJWQBQDCNBBM-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
CID 80970330
2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
CID 81289719
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide (CID 19683945) is N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is YXJJWQBQDCNBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c1-2-9-7-10(15)3-6-14(9)18-21(19,20)11-4-5-12(16)13(17)8-11/h3-8,18H,2H2,1H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide?
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 19683945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).