N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide

C19H22FNO2S — CID 113090696

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FNO2S/c20-18-10-8-17(9-11-18)19(12-13-19)15-21-24(22,23)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,21H,4,7,12-15H2
InChIKeyVGRGLOQHJBCHDZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.41
Rot. Bonds8

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113090696) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
PubChem CID113090696
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FNO2S/c20-18-10-8-17(9-11-18)19(12-13-19)15-21-24(22,23)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,21H,4,7,12-15H2
InChIKeyVGRGLOQHJBCHDZ-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
CID 146078875
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269699
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 110440585
2-phenyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]ethanesulfonamide
CID 30943250
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 112505103
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 71796584

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide (CID 113090696) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is VGRGLOQHJBCHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c20-18-10-8-17(9-11-18)19(12-13-19)15-21-24(22,23)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,21H,4,7,12-15H2.
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 347.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113090696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).