(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide

C19H20FNO2S — CID 71796584

IUPAC(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H20FNO2S/c1-15-2-4-16(5-3-15)10-13-24(22,23)21-14-19(11-12-19)17-6-8-18(20)9-7-17/h2-10,13,21H,11-12,14H2,1H3/b13-10+
InChIKeyPYULNJZYYXRIGB-JLHYYAGUSA-N
MW345.44 g/mol
LogP3.76
Rot. Bonds6

About (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 71796584) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID71796584
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H20FNO2S/c1-15-2-4-16(5-3-15)10-13-24(22,23)21-14-19(11-12-19)17-6-8-18(20)9-7-17/h2-10,13,21H,11-12,14H2,1H3/b13-10+
InChIKeyPYULNJZYYXRIGB-JLHYYAGUSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 42269706
N-(3-fluorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26579069
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
(E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90624271
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
CID 14087488
(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide
CID 71796732
4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269691
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
CID 86263782
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide (CID 71796584) is (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is PYULNJZYYXRIGB-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-15-2-4-16(5-3-15)10-13-24(22,23)21-14-19(11-12-19)17-6-8-18(20)9-7-17/h2-10,13,21H,11-12,14H2,1H3/b13-10+.
What are the key properties of (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 345.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 71796584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).