2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide

C13H11BrF2N2O2S — CID 43452545

IUPAC2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-3-2-4-11(17)13(7)21(19,20)18-12-9(14)5-8(15)6-10(12)16/h2-6,18H,17H2,1H3
InChIKeyIIQXYDAZVIAQCN-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.42
Rot. Bonds3

About 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide

2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide (PubChem CID 43452545) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
PubChem CID43452545
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC Name2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-3-2-4-11(17)13(7)21(19,20)18-12-9(14)5-8(15)6-10(12)16/h2-6,18H,17H2,1H3
InChIKeyIIQXYDAZVIAQCN-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 43168233
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 75356364

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide (CID 43452545) is 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide?
The InChIKey is IIQXYDAZVIAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-7-3-2-4-11(17)13(7)21(19,20)18-12-9(14)5-8(15)6-10(12)16/h2-6,18H,17H2,1H3.
What are the key properties of 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide?
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide has a molecular weight of 377.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).