4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide

C13H7BrF5NO2S — CID 98000747

IUPAC4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H7BrF5NO2S/c14-12-2-1-10(6-11(12)13(17,18)19)23(21,22)20-9-4-7(15)3-8(16)5-9/h1-6,20H
InChIKeyPDHUOMUYSMEQEP-UHFFFAOYSA-N
MW416.17 g/mol
LogP4.55
Rot. Bonds3

About 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide

4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 98000747) has the molecular formula C13H7BrF5NO2S and a molecular weight of 416.17 g/mol. Its IUPAC name is 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID98000747
Molecular FormulaC13H7BrF5NO2S
Molecular Weight416.17 g/mol
Exact Mass414.93
IUPAC Name4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H7BrF5NO2S/c14-12-2-1-10(6-11(12)13(17,18)19)23(21,22)20-9-4-7(15)3-8(16)5-9/h1-6,20H
InChIKeyPDHUOMUYSMEQEP-UHFFFAOYSA-N
XLogP4.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzenesulfonamide
CID 156635003
N-(4-bromo-2-fluorophenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 1307471
Cyto4B3
CID 2809183
N-(4-bromo-2,5-difluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 155559764
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
4-bromo-N-(4-fluorophenyl)benzenesulfonamide
CID 3447682
N-(2,4-difluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 4686978
N-(3,5-difluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 25015013
N-(3,4-difluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 25015014
4-(bromomethyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 2757069
N-(4-bromo-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 798927
4-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 822548

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 98000747) is 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PDHUOMUYSMEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF5NO2S/c14-12-2-1-10(6-11(12)13(17,18)19)23(21,22)20-9-4-7(15)3-8(16)5-9/h1-6,20H.
What are the key properties of 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 416.17 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98000747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).