4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide

C14H12Br2FNO2S — CID 3369335

IUPAC4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H12Br2FNO2S/c1-2-9-7-10(15)3-6-14(9)21(19,20)18-13-5-4-11(17)8-12(13)16/h3-8,18H,2H2,1H3
InChIKeyBZVAAWNIHMWEQG-UHFFFAOYSA-N
MW437.13 g/mol
LogP4.71
Rot. Bonds4

About 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide

4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide (PubChem CID 3369335) has the molecular formula C14H12Br2FNO2S and a molecular weight of 437.13 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
PubChem CID3369335
Molecular FormulaC14H12Br2FNO2S
Molecular Weight437.13 g/mol
Exact Mass434.89
IUPAC Name4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H12Br2FNO2S/c1-2-9-7-10(15)3-6-14(9)21(19,20)18-13-5-4-11(17)8-12(13)16/h3-8,18H,2H2,1H3
InChIKeyBZVAAWNIHMWEQG-UHFFFAOYSA-N
XLogP4.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide
CID 3771585
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide (CID 3369335) is 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide?
The InChIKey is BZVAAWNIHMWEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO2S/c1-2-9-7-10(15)3-6-14(9)21(19,20)18-13-5-4-11(17)8-12(13)16/h3-8,18H,2H2,1H3.
What are the key properties of 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide?
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide has a molecular weight of 437.13 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 3369335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).