N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide

C18H19F2NO2S — CID 166242215

IUPACN-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(F)cc1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H19F2NO2S/c19-16-7-5-14(6-8-16)11-12-24(22,23)21(17-9-10-17)13-15-3-1-2-4-18(15)20/h1-8,17H,9-13H2
InChIKeyDQOINRARAGHDHF-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.50
Rot. Bonds7

About N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide

N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 166242215) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
PubChem CID166242215
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(F)cc1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H19F2NO2S/c19-16-7-5-14(6-8-16)11-12-24(22,23)21(17-9-10-17)13-15-3-1-2-4-18(15)20/h1-8,17H,9-13H2
InChIKeyDQOINRARAGHDHF-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide (CID 166242215) is N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccc(F)cc1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is DQOINRARAGHDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c19-16-7-5-14(6-8-16)11-12-24(22,23)21(17-9-10-17)13-15-3-1-2-4-18(15)20/h1-8,17H,9-13H2.
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide?
N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 166242215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).