2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide

C14H14BrFN2O2S — CID 81289719

IUPAC2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C14H14BrFN2O2S/c1-2-9-8-10(15)6-7-13(9)18-21(19,20)14-11(16)4-3-5-12(14)17/h3-8,18H,2,17H2,1H3
InChIKeyMYTQKUGBSREMIT-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.53
Rot. Bonds4

About 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide

2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide (PubChem CID 81289719) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
PubChem CID81289719
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C14H14BrFN2O2S/c1-2-9-8-10(15)6-7-13(9)18-21(19,20)14-11(16)4-3-5-12(14)17/h3-8,18H,2,17H2,1H3
InChIKeyMYTQKUGBSREMIT-UHFFFAOYSA-N
XLogP3.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.53
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

N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
2-amino-N-(4-bromo-3-fluorophenyl)-6-fluorobenzenesulfonamide
CID 65434879
2-amino-N-(3-bromo-5-methoxyphenyl)-6-fluorobenzenesulfonamide
CID 82859351
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616823
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679
1-N-(4-bromo-2-ethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590606
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
CID 80970330
N-(2-amino-6-fluorophenyl)-3-bromobenzenesulfonamide
CID 81310122
2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
CID 64914782

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide (CID 81289719) is 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide?
The InChIKey is MYTQKUGBSREMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-2-9-8-10(15)6-7-13(9)18-21(19,20)14-11(16)4-3-5-12(14)17/h3-8,18H,2,17H2,1H3.
What are the key properties of 2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide?
2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.53, 4 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-2-ethylphenyl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 81289719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).