5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide

C14H14BrFN2O2S — CID 107571249

IUPAC5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)ccc2F)cc(C)c1Br
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-11(6-9(2)14(8)15)18-21(19,20)13-7-10(17)3-4-12(13)16/h3-7,18H,17H2,1-2H3
InChIKeyTWPHDRKDPURLSW-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.59
Rot. Bonds3

About 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide

5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 107571249) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
PubChem CID107571249
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)ccc2F)cc(C)c1Br
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-11(6-9(2)14(8)15)18-21(19,20)13-7-10(17)3-4-12(13)16/h3-7,18H,17H2,1-2H3
InChIKeyTWPHDRKDPURLSW-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.59
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

5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 107571257
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
CID 107575174

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide (CID 107571249) is 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(N)ccc2F)cc(C)c1Br.
What is the InChIKey of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is TWPHDRKDPURLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-8-5-11(6-9(2)14(8)15)18-21(19,20)13-7-10(17)3-4-12(13)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide?
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 107571249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).