3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

C10H11BrF4N2O2S — CID 106289480

IUPAC3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H11BrF4N2O2S/c1-5-7(16)2-6(11)3-8(5)20(18,19)17-4-10(14,15)9(12)13/h2-3,9,17H,4,16H2,1H3
InChIKeyDZISZORYTGKIJV-UHFFFAOYSA-N
MW379.17 g/mol
LogP2.52
Rot. Bonds5

About 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (PubChem CID 106289480) has the molecular formula C10H11BrF4N2O2S and a molecular weight of 379.17 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
PubChem CID106289480
Molecular FormulaC10H11BrF4N2O2S
Molecular Weight379.17 g/mol
Exact Mass377.97
IUPAC Name3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H11BrF4N2O2S/c1-5-7(16)2-6(11)3-8(5)20(18,19)17-4-10(14,15)9(12)13/h2-3,9,17H,4,16H2,1H3
InChIKeyDZISZORYTGKIJV-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 3370407
N-(5-bromo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3865413
N-(5-bromo-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 4984992
5-bromo-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8513828
5-bromo-N-(2,4-difluorophenyl)-2-methylbenzenesulfonamide
CID 8513844
5-bromo-N-(2,5-difluorophenyl)-2-methylbenzenesulfonamide
CID 8513877
5-bromo-N-(3,4-difluorophenyl)-2-methylbenzenesulfonamide
CID 8514031
5-bromo-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 8517215
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 27993385
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 28938711
3-amino-N-(4-bromo-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 29051289
3-amino-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29797162

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (CID 106289480) is 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is Cc1c(N)cc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The InChIKey is DZISZORYTGKIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF4N2O2S/c1-5-7(16)2-6(11)3-8(5)20(18,19)17-4-10(14,15)9(12)13/h2-3,9,17H,4,16H2,1H3.
What are the key properties of 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide has a molecular weight of 379.17 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is sourced from PubChem (CID 106289480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).