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

C18H17ClFNO2S — CID 26531291

IUPAC(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H17ClFNO2S/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/h1-8,11-12,18H,9-10,13H2/b12-11+
InChIKeyOVCPPDMCMWDARY-VAWYXSNFSA-N
MW365.86 g/mol
LogP4.44
Rot. Bonds6

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

(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide (PubChem CID 26531291) 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-[(4-fluorophenyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide
PubChem CID26531291
Molecular FormulaC18H17ClFNO2S
Molecular Weight365.86 g/mol
Exact Mass365.07
IUPAC Name(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H17ClFNO2S/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/h1-8,11-12,18H,9-10,13H2/b12-11+
InChIKeyOVCPPDMCMWDARY-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-[(2-fluorophenyl)methyl]ethenesulfonamide
CID 27665668
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
2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 107651000
N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
CID 77114927
N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 138498010
N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 166242216
2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 78665232
2-[cyclohexyl(2-phenylethenylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5057147
1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene
CID 5388092
methyl 4-[[[1-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]benzoyl]pyrrolidin-3-yl]-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]benzoate
CID 135779208
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 26531289

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide (CID 26531291) is (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide?
The InChIKey is OVCPPDMCMWDARY-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H17ClFNO2S/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/h1-8,11-12,18H,9-10,13H2/b12-11+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(4-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-[(4-fluorophenyl)methyl]ethenesulfonamide is sourced from PubChem (CID 26531291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).