N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide

C18H20FNO3S — CID 90535501

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H20FNO3S/c19-17-10-6-14(7-11-17)12-24(22,23)20-13-18(21,16-8-9-16)15-4-2-1-3-5-15/h1-7,10-11,16,20-21H,8-9,12-13H2
InChIKeyKMGXJBOVZAFUEL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.54
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 90535501) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID90535501
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H20FNO3S/c19-17-10-6-14(7-11-17)12-24(22,23)20-13-18(21,16-8-9-16)15-4-2-1-3-5-15/h1-7,10-11,16,20-21H,8-9,12-13H2
InChIKeyKMGXJBOVZAFUEL-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90497105
1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
CID 90535524
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 71788801
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
2-bromo-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 95379538
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide
CID 122243861
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 71788808

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide (CID 90535501) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is KMGXJBOVZAFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-17-10-6-14(7-11-17)12-24(22,23)20-13-18(21,16-8-9-16)15-4-2-1-3-5-15/h1-7,10-11,16,20-21H,8-9,12-13H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 90535501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).