N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C14H8BrF6NO2S — CID 3372952

IUPACN-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8BrF6NO2S/c15-10-2-1-3-11(7-10)22-25(23,24)12-5-8(13(16,17)18)4-9(6-12)14(19,20)21/h1-7,22H
InChIKeyVQZYKAPQRVJLRV-UHFFFAOYSA-N
MW448.18 g/mol
LogP5.29
Rot. Bonds3

About N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 3372952) has the molecular formula C14H8BrF6NO2S and a molecular weight of 448.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID3372952
Molecular FormulaC14H8BrF6NO2S
Molecular Weight448.18 g/mol
Exact Mass446.94
IUPAC NameN-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8BrF6NO2S/c15-10-2-1-3-11(7-10)22-25(23,24)12-5-8(13(16,17)18)4-9(6-12)14(19,20)21/h1-7,22H
InChIKeyVQZYKAPQRVJLRV-UHFFFAOYSA-N
XLogP5.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.18
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 51557585
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2819593
N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
CID 175722887
3-bromo-N-(3-fluoro-5-methylphenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 98000525
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 3372952) is N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Br)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is VQZYKAPQRVJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF6NO2S/c15-10-2-1-3-11(7-10)22-25(23,24)12-5-8(13(16,17)18)4-9(6-12)14(19,20)21/h1-7,22H.
What are the key properties of N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 448.18 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3372952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).