N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide

C15H21ClFNO3S — CID 75519267

IUPACN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide
SMILESCC(C)C(NS(=O)(=O)CC1CCOC1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H21ClFNO3S/c1-10(2)15(13-4-3-12(16)7-14(13)17)18-22(19,20)9-11-5-6-21-8-11/h3-4,7,10-11,15,18H,5-6,8-9H2,1-2H3
InChIKeyJQLUPEQLTSZMSR-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.13
Rot. Bonds6

About N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide

N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide (PubChem CID 75519267) has the molecular formula C15H21ClFNO3S and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide
PubChem CID75519267
Molecular FormulaC15H21ClFNO3S
Molecular Weight349.86 g/mol
Exact Mass349.09
IUPAC NameN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide
SMILESCC(C)C(NS(=O)(=O)CC1CCOC1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H21ClFNO3S/c1-10(2)15(13-4-3-12(16)7-14(13)17)18-22(19,20)9-11-5-6-21-8-11/h3-4,7,10-11,15,18H,5-6,8-9H2,1-2H3
InChIKeyJQLUPEQLTSZMSR-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide
CID 126783845
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide
CID 166332057
N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1-(oxolan-3-yl)methanesulfonamide
CID 71997249
(1S)-1-(4-chloro-2-fluorophenyl)-2-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]propan-1-amine
CID 99820749
N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
CID 95618065
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
CID 171352805
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
CID 164639260
3-[1-(3,4-dichlorophenyl)ethylsulfonylmethyl]oxolane
CID 122142906
(3S)-3-[[(1R)-1-(3,4-dichlorophenyl)ethyl]sulfonylmethyl]oxolane
CID 124607311
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide?
The IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide (CID 75519267) is N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide?
The canonical SMILES for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide is CC(C)C(NS(=O)(=O)CC1CCOC1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide?
The InChIKey is JQLUPEQLTSZMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO3S/c1-10(2)15(13-4-3-12(16)7-14(13)17)18-22(19,20)9-11-5-6-21-8-11/h3-4,7,10-11,15,18H,5-6,8-9H2,1-2H3.
What are the key properties of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide?
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide has a molecular weight of 349.86 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 75519267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).