5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide

C9H12F2N2O2S — CID 105120231

IUPAC5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
SMILESCCNCc1cc(F)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H12F2N2O2S/c1-2-13-5-6-3-7(10)9(11)8(4-6)16(12,14)15/h3-4,13H,2,5H2,1H3,(H2,12,14,15)
InChIKeyZADAPZNPUJOPOA-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.72
Rot. Bonds4

About 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide

5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide (PubChem CID 105120231) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
PubChem CID105120231
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Name5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
SMILESCCNCc1cc(F)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H12F2N2O2S/c1-2-13-5-6-3-7(10)9(11)8(4-6)16(12,14)15/h3-4,13H,2,5H2,1H3,(H2,12,14,15)
InChIKeyZADAPZNPUJOPOA-UHFFFAOYSA-N
XLogP0.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120228
5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide
CID 105120027
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
N-[(3,4-difluoro-5-thiomorpholin-4-ylsulfonylphenyl)methyl]ethanamine
CID 105119204
N-ethyl-5-(ethylaminomethyl)-2,3-difluoro-N-prop-2-enylbenzenesulfonamide
CID 105123187
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701500
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
N-butyl-2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120214
2,3-difluoro-5-methylbenzenesulfonamide
CID 119018924
3-[(3,4,5-trifluorophenyl)methylamino]propane-1-sulfonamide
CID 63052426
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 106075371

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide (CID 105120231) is 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide is CCNCc1cc(F)c(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is ZADAPZNPUJOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-2-13-5-6-3-7(10)9(11)8(4-6)16(12,14)15/h3-4,13H,2,5H2,1H3,(H2,12,14,15).
What are the key properties of 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide?
5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 105120231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).