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

C18H19F2NO2S — CID 166242216

IUPACN-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19F2NO2S/c19-16-5-1-14(2-6-16)11-12-24(22,23)21(18-9-10-18)13-15-3-7-17(20)8-4-15/h1-8,18H,9-13H2
InChIKeyRRVAXEZDBGCFSQ-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.50
Rot. Bonds7

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

N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 166242216) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
PubChem CID166242216
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19F2NO2S/c19-16-5-1-14(2-6-16)11-12-24(22,23)21(18-9-10-18)13-15-3-7-17(20)8-4-15/h1-8,18H,9-13H2
InChIKeyRRVAXEZDBGCFSQ-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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Related Compounds

2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 107651000
N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 166242215
N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 138498010
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 26531289
N-cyclopropyl-4-[[cyclopropyl-[2-(4-nitrophenyl)ethylsulfonyl]amino]methyl]benzamide
CID 75384695
3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 61072223
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
CID 43578537
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide
CID 26531291
N-(cyanomethyl)-N-cyclopropyl-2-phenylethanesulfonamide
CID 94694271
N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide
CID 167781763
N-cyclobutyl-2,3,5-trifluoro-N-[(4-fluorophenyl)methyl]-4,6-dimethylbenzenesulfonamide
CID 138498077
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide
CID 79592400

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide (CID 166242216) is N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is RRVAXEZDBGCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c19-16-5-1-14(2-6-16)11-12-24(22,23)21(18-9-10-18)13-15-3-7-17(20)8-4-15/h1-8,18H,9-13H2.
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-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-[(4-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 166242216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).