(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide

C18H17ClFNO2S — CID 27665668

IUPAC(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H17ClFNO2S/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/h1-8,11-12,17H,9-10,13H2/b12-11+
InChIKeyQCYUGKMOMHYQDI-VAWYXSNFSA-N
MW365.86 g/mol
LogP4.44
Rot. Bonds6

About (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide (PubChem CID 27665668) has the molecular formula C18H17ClFNO2S and a molecular weight of 365.86 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
PubChem CID27665668
Molecular FormulaC18H17ClFNO2S
Molecular Weight365.86 g/mol
Exact Mass365.07
IUPAC Name(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H17ClFNO2S/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/h1-8,11-12,17H,9-10,13H2/b12-11+
InChIKeyQCYUGKMOMHYQDI-VAWYXSNFSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide
CID 26531291
4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
CID 24679248
(E)-2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylethenesulfonamide
CID 60807810
N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 56582102
N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
CID 77114927
(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide
CID 97095665
N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 166242215
(E)-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylethenesulfonamide
CID 42663187
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692045
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55904602
(E)-3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 19120021
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 91939249

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide (CID 27665668) is (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide?
The InChIKey is QCYUGKMOMHYQDI-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H17ClFNO2S/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/h1-8,11-12,17H,9-10,13H2/b12-11+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide has a molecular weight of 365.86 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide is sourced from PubChem (CID 27665668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).