2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C9H10BrF3N2O2S — CID 60891919

IUPAC2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H10BrF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(10)4-7(8)14/h2-4H,5,14H2,1H3
InChIKeyFGZYTRNFDIUUHF-UHFFFAOYSA-N
MW347.16 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60891919) has the molecular formula C9H10BrF3N2O2S and a molecular weight of 347.16 g/mol. Its IUPAC name is 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60891919
Molecular FormulaC9H10BrF3N2O2S
Molecular Weight347.16 g/mol
Exact Mass345.96
IUPAC Name2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H10BrF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(10)4-7(8)14/h2-4H,5,14H2,1H3
InChIKeyFGZYTRNFDIUUHF-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-bromobenzene-1-sulfonamide
CID 12452495
2-Amino-6-bromobenzene-1-sulfonamide
CID 12528493
2-amino-N-(4-bromophenyl)-5-fluorobenzene-1-sulfonamide
CID 2405947
4-bromo-N-(3,4-difluorophenyl)benzenesulfonamide
CID 2807191
4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide
CID 2991506
2-amino-N-methyl-N-(1,1,2,2-tetrafluoroethyl)benzenesulfonamide
CID 20478828
4-Bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide
CID 67529849
4-Bromo-2-(cyclopropylamino)-3-fluorobenzenesulfonamide
CID 67530260
4-Bromo-2-(cyclopropylamino)-5-fluorobenzenesulfonamide
CID 67530664
2-amino-N-(1-fluoroethyl)-N-methylbenzenesulfonamide
CID 70510812
2-amino-N-(2-fluoroethyl)-N-methylbenzenesulfonamide
CID 88721408
5-bromo-N-methyl-2-(trifluoromethylsulfonyl)aniline
CID 123295826

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60891919) is 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FGZYTRNFDIUUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O2S/c1-15(5-9(11,12)13)18(16,17)8-3-2-6(10)4-7(8)14/h2-4H,5,14H2,1H3.
What are the key properties of 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 347.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60891919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).