N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide

C15H13BrF3NO4S — CID 3673707

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1OC
InChIInChI=1S/C15H13BrF3NO4S/c1-23-13-6-4-10(8-14(13)24-2)25(21,22)20-12-7-9(15(17,18)19)3-5-11(12)16/h3-8,20H,1-2H3
InChIKeyFYUYQNJGNOEWSU-UHFFFAOYSA-N
MW440.24 g/mol
LogP4.29
Rot. Bonds5

About N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide

N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 3673707) has the molecular formula C15H13BrF3NO4S and a molecular weight of 440.24 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID3673707
Molecular FormulaC15H13BrF3NO4S
Molecular Weight440.24 g/mol
Exact Mass438.97
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1OC
InChIInChI=1S/C15H13BrF3NO4S/c1-23-13-6-4-10(8-14(13)24-2)25(21,22)20-12-7-9(15(17,18)19)3-5-11(12)16/h3-8,20H,1-2H3
InChIKeyFYUYQNJGNOEWSU-UHFFFAOYSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 3797956
3-bromo-6-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 86807570
5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26983087
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide
CID 3847210
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide (CID 3673707) is N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1OC.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is FYUYQNJGNOEWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO4S/c1-23-13-6-4-10(8-14(13)24-2)25(21,22)20-12-7-9(15(17,18)19)3-5-11(12)16/h3-8,20H,1-2H3.
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 440.24 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3673707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).