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-benzyl-4-bromo-2-methylbenzenesulfonamide
CID 760027
2-Bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 4825019
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 44825362
N-benzyl-2-bromobenzenesulfonamide
CID 7938012
N-Benzyl-4-bromobenzenesulfonamide
CID 571651
N-benzyl-2,5-dibromobenzenesulfonamide
CID 7749529
N-benzyl-2-bromo-4-fluorobenzenesulfonamide
CID 16060325
2,5-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 26948826
N-[6-[(4-bromophenyl)methylamino]hexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 168284469
4-bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 2169357
4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 3552130

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).