(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

C15H22FNO3S — CID 97175198

IUPAC(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-11(2)17-21(18,19)15-7-8-20-10-13(15)9-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWCXUAXTOPEWLQ-DZGCQCFKSA-N
MW315.41 g/mol
LogP2.10
Rot. Bonds5

About (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (PubChem CID 97175198) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
PubChem CID97175198
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-11(2)17-21(18,19)15-7-8-20-10-13(15)9-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWCXUAXTOPEWLQ-DZGCQCFKSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butoxypropyl)-1-phenylmethanesulfonamide
CID 2290683
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561173
N-(2,4-dimethylpentan-3-yl)-1-(2-fluorophenyl)methanesulfonamide
CID 17741146
1-(oxolan-3-yl)-N-(4-phenylbutan-2-yl)methanesulfonamide
CID 53544520
N-(2-benzylcyclopentyl)-2-methoxyethanesulfonamide
CID 72006495
N-[(1S)-1-cyclopropyl-2-phenylethyl]-2-methoxyethanesulfonamide
CID 96304313
1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide
CID 97239225
N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide
CID 99832812
N-[(2S)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 100625473
N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(oxan-2-yl)methanesulfonamide
CID 132396646
N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide
CID 136581524
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide
CID 164629917

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (CID 97175198) is (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is CC(C)NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F.
What is the InChIKey of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is MWCXUAXTOPEWLQ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-11(2)17-21(18,19)15-7-8-20-10-13(15)9-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 97175198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).