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

C14H14BrFN2O2S — CID 107571257

IUPAC2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2N)cc(C)c1Br
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-11(6-9(2)14(8)15)18-21(19,20)13-4-3-10(16)7-12(13)17/h3-7,18H,17H2,1-2H3
InChIKeyVCZLRDITUDERJX-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.59
Rot. Bonds3

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

2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 107571257) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
PubChem CID107571257
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2N)cc(C)c1Br
InChIInChI=1S/C14H14BrFN2O2S/c1-8-5-11(6-9(2)14(8)15)18-21(19,20)13-4-3-10(16)7-12(13)17/h3-7,18H,17H2,1-2H3
InChIKeyVCZLRDITUDERJX-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

2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 79041128
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114625894
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide (CID 107571257) is 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)cc2N)cc(C)c1Br.
What is the InChIKey of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is VCZLRDITUDERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-8-5-11(6-9(2)14(8)15)18-21(19,20)13-4-3-10(16)7-12(13)17/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide?
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-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 2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107571257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).