5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide

C12H18F2N2O2S — CID 105120027

IUPAC5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(CNCC)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-5-16-19(17,18)11-7-9(8-15-4-2)6-10(13)12(11)14/h6-7,15-16H,3-5,8H2,1-2H3
InChIKeyQKFYOHFPNNIASA-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.76
Rot. Bonds7

About 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide

5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide (PubChem CID 105120027) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide
PubChem CID105120027
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(CNCC)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-5-16-19(17,18)11-7-9(8-15-4-2)6-10(13)12(11)14/h6-7,15-16H,3-5,8H2,1-2H3
InChIKeyQKFYOHFPNNIASA-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120214
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701500
5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105120231
2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120228
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
N-butyl-5-[(cyclopropylamino)methyl]-2,3-difluorobenzenesulfonamide
CID 105120221
N-(3,3-dimethylbutyl)-5-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 106085625
N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466290
2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentylbenzenesulfonamide
CID 106058377
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
2-bromo-5-(ethylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058095

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide (CID 105120027) is 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(CNCC)cc(F)c1F.
What is the InChIKey of 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide?
The InChIKey is QKFYOHFPNNIASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-3-5-16-19(17,18)11-7-9(8-15-4-2)6-10(13)12(11)14/h6-7,15-16H,3-5,8H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide?
5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 105120027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).