1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine

C11H13F2NO2S — CID 64646053

IUPAC1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
SMILESNC(CS(=O)(=O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C11H13F2NO2S/c12-8-3-4-11(9(13)5-8)17(15,16)6-10(14)7-1-2-7/h3-5,7,10H,1-2,6,14H2
InChIKeyVWDVANNYSRZOCA-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.48
Rot. Bonds4

About 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine

1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine (PubChem CID 64646053) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
PubChem CID64646053
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
SMILESNC(CS(=O)(=O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C11H13F2NO2S/c12-8-3-4-11(9(13)5-8)17(15,16)6-10(14)7-1-2-7/h3-5,7,10H,1-2,6,14H2
InChIKeyVWDVANNYSRZOCA-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 104753985
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
CID 106584748
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
1-(4-bromobutylsulfonyl)-2,4-difluorobenzene
CID 43167546
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine
CID 65494913
[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 64698419
N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67182855
1-cyclopentyl-2-(2-nitrophenyl)sulfonylethanamine
CID 104754042

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine?
The IUPAC name of 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine (CID 64646053) is 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine is NC(CS(=O)(=O)c1ccc(F)cc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine?
The InChIKey is VWDVANNYSRZOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c12-8-3-4-11(9(13)5-8)17(15,16)6-10(14)7-1-2-7/h3-5,7,10H,1-2,6,14H2.
What are the key properties of 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine?
1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine has a molecular weight of 261.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine is sourced from PubChem (CID 64646053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).