4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide

C13H10BrF2NO2S2 — CID 26968476

IUPAC4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1SC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrF2NO2S2/c14-9-5-7-10(8-6-9)21(18,19)17-11-3-1-2-4-12(11)20-13(15)16/h1-8,13,17H
InChIKeyWVJWHNJKILXLBJ-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.56
Rot. Bonds5

About 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide

4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide (PubChem CID 26968476) has the molecular formula C13H10BrF2NO2S2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
PubChem CID26968476
Molecular FormulaC13H10BrF2NO2S2
Molecular Weight394.26 g/mol
Exact Mass392.93
IUPAC Name4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1SC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrF2NO2S2/c14-9-5-7-10(8-6-9)21(18,19)17-11-3-1-2-4-12(11)20-13(15)16/h1-8,13,17H
InChIKeyWVJWHNJKILXLBJ-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 29040314
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
CID 107650616
N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63000019
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
methyl 2-[1-[2-[(4-bromophenyl)sulfonylamino]phenyl]sulfanylcyclopropyl]-2-chloroacetate
CID 11049259
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 106057867
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide
CID 63977730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide (CID 26968476) is 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1SC(F)F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
The InChIKey is WVJWHNJKILXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S2/c14-9-5-7-10(8-6-9)21(18,19)17-11-3-1-2-4-12(11)20-13(15)16/h1-8,13,17H.
What are the key properties of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide?
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide has a molecular weight of 394.26 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26968476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).