3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide

C14H10Br2F3NO2S — CID 98000782

IUPAC3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Br)cc1)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10Br2F3NO2S/c15-11-3-1-9(2-4-11)8-20-23(21,22)13-6-10(14(17,18)19)5-12(16)7-13/h1-7,20H,8H2
InChIKeyYEJNJEANQQNXGX-UHFFFAOYSA-N
MW473.11 g/mol
LogP4.71
Rot. Bonds4

About 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide

3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 98000782) has the molecular formula C14H10Br2F3NO2S and a molecular weight of 473.11 g/mol. Its IUPAC name is 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID98000782
Molecular FormulaC14H10Br2F3NO2S
Molecular Weight473.11 g/mol
Exact Mass470.88
IUPAC Name3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Br)cc1)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10Br2F3NO2S/c15-11-3-1-9(2-4-11)8-20-23(21,22)13-6-10(14(17,18)19)5-12(16)7-13/h1-7,20H,8H2
InChIKeyYEJNJEANQQNXGX-UHFFFAOYSA-N
XLogP4.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-3-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 119962038
4-bromo-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 5102695
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433892
3-bromo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 166322298
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide (CID 98000782) is 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccc(Br)cc1)c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YEJNJEANQQNXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3NO2S/c15-11-3-1-9(2-4-11)8-20-23(21,22)13-6-10(14(17,18)19)5-12(16)7-13/h1-7,20H,8H2.
What are the key properties of 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 473.11 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 3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98000782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).