5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C16H15BrF3NO3S — CID 55352516

IUPAC5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15BrF3NO3S/c1-21(10-11-3-5-12(6-4-11)16(18,19)20)25(22,23)15-9-13(17)7-8-14(15)24-2/h3-9H,10H2,1-2H3
InChIKeyOPMCPMMFFIJGGG-UHFFFAOYSA-N
MW438.27 g/mol
LogP4.30
Rot. Bonds5

About 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 55352516) has the molecular formula C16H15BrF3NO3S and a molecular weight of 438.27 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID55352516
Molecular FormulaC16H15BrF3NO3S
Molecular Weight438.27 g/mol
Exact Mass436.99
IUPAC Name5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15BrF3NO3S/c1-21(10-11-3-5-12(6-4-11)16(18,19)20)25(22,23)15-9-13(17)7-8-14(15)24-2/h3-9H,10H2,1-2H3
InChIKeyOPMCPMMFFIJGGG-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62818536
5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 134017189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 55352516) is 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is OPMCPMMFFIJGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3NO3S/c1-21(10-11-3-5-12(6-4-11)16(18,19)20)25(22,23)15-9-13(17)7-8-14(15)24-2/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 438.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55352516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).