5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide

C13H20F2N2O2S — CID 105118929

IUPAC5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C13H20F2N2O2S/c1-3-5-6-17(4-2)20(18,19)12-8-10(9-16)7-11(14)13(12)15/h7-8H,3-6,9,16H2,1-2H3
InChIKeyZEYVAIBTPOXNMD-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.23
Rot. Bonds7

About 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide

5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide (PubChem CID 105118929) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide
PubChem CID105118929
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C13H20F2N2O2S/c1-3-5-6-17(4-2)20(18,19)12-8-10(9-16)7-11(14)13(12)15/h7-8H,3-6,9,16H2,1-2H3
InChIKeyZEYVAIBTPOXNMD-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066
4-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 79186743
5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 28716397
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 105116983
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
N-ethyl-5-(ethylaminomethyl)-2,3-difluoro-N-prop-2-enylbenzenesulfonamide
CID 105123187
5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 105120761
3-bromo-N-butyl-N-ethyl-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 81488713
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106029984

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide (CID 105118929) is 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide is CCCCN(CC)S(=O)(=O)c1cc(CN)cc(F)c1F.
What is the InChIKey of 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide?
The InChIKey is ZEYVAIBTPOXNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-3-5-6-17(4-2)20(18,19)12-8-10(9-16)7-11(14)13(12)15/h7-8H,3-6,9,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide?
5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide has a molecular weight of 306.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-butyl-N-ethyl-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 105118929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).