N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide

C14H19ClFNO4S — CID 166332057

IUPACN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide
SMILESCC(C)C(NS(=O)(=O)C1COCC1O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFNO4S/c1-8(2)14(10-4-3-9(15)5-11(10)16)17-22(19,20)13-7-21-6-12(13)18/h3-5,8,12-14,17-18H,6-7H2,1-2H3
InChIKeyBGXAFFMZDZVTCX-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.86
Rot. Bonds5

About N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide

N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide (PubChem CID 166332057) has the molecular formula C14H19ClFNO4S and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide
PubChem CID166332057
Molecular FormulaC14H19ClFNO4S
Molecular Weight351.83 g/mol
Exact Mass351.07
IUPAC NameN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide
SMILESCC(C)C(NS(=O)(=O)C1COCC1O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFNO4S/c1-8(2)14(10-4-3-9(15)5-11(10)16)17-22(19,20)13-7-21-6-12(13)18/h3-5,8,12-14,17-18H,6-7H2,1-2H3
InChIKeyBGXAFFMZDZVTCX-UHFFFAOYSA-N
XLogP1.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-1-(oxolan-3-yl)methanesulfonamide
CID 75519267
2-[[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetic acid
CID 99784125
(1S)-1-(4-chloro-2-fluorophenyl)-2-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]propan-1-amine
CID 99820749
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
CID 75501534
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568535
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
1-[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568534
1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 105022440
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide?
The IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide (CID 166332057) is N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide.
What is the SMILES notation for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide?
The canonical SMILES for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide is CC(C)C(NS(=O)(=O)C1COCC1O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide?
The InChIKey is BGXAFFMZDZVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO4S/c1-8(2)14(10-4-3-9(15)5-11(10)16)17-22(19,20)13-7-21-6-12(13)18/h3-5,8,12-14,17-18H,6-7H2,1-2H3.
What are the key properties of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide?
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide has a molecular weight of 351.83 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide is sourced from PubChem (CID 166332057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).