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

C15H12BrClF3NO4S — CID 27658187

IUPAC2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C15H12BrClF3NO4S/c1-24-12-6-10(16)14(7-13(12)25-2)26(22,23)21-8-3-4-11(17)9(5-8)15(18,19)20/h3-7,21H,1-2H3
InChIKeyGUNKICZCFWPEPJ-UHFFFAOYSA-N
MW474.68 g/mol
LogP4.94
Rot. Bonds5

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

2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide (PubChem CID 27658187) has the molecular formula C15H12BrClF3NO4S and a molecular weight of 474.68 g/mol. Its IUPAC name is 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
PubChem CID27658187
Molecular FormulaC15H12BrClF3NO4S
Molecular Weight474.68 g/mol
Exact Mass472.93
IUPAC Name2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C15H12BrClF3NO4S/c1-24-12-6-10(16)14(7-13(12)25-2)26(22,23)21-8-3-4-11(17)9(5-8)15(18,19)20/h3-7,21H,1-2H3
InChIKeyGUNKICZCFWPEPJ-UHFFFAOYSA-N
XLogP4.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.68
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 126190415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100666453
2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 27658149
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
2-bromo-N-[3-[(3R,5S)-5-(2-hydroxypropan-2-yl)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 142896146
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 1006648
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657
N-[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]-4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonamide
CID 10141465
N-(2H-benzotriazol-5-yl)-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 71861623

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide (CID 27658187) is 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide?
The InChIKey is GUNKICZCFWPEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF3NO4S/c1-24-12-6-10(16)14(7-13(12)25-2)26(22,23)21-8-3-4-11(17)9(5-8)15(18,19)20/h3-7,21H,1-2H3.
What are the key properties of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide?
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide has a molecular weight of 474.68 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 27658187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).