(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

C15H21ClFNO3S — CID 97175144

IUPAC(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H21ClFNO3S/c1-10(2)18-22(19,20)15-6-7-21-9-11(15)8-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3/t11-,15-/m1/s1
InChIKeyHYMOVHSMTNNEKX-IAQYHMDHSA-N
MW349.86 g/mol
LogP2.75
Rot. Bonds5

About (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (PubChem CID 97175144) has the molecular formula C15H21ClFNO3S and a molecular weight of 349.86 g/mol. Its IUPAC name is (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
PubChem CID97175144
Molecular FormulaC15H21ClFNO3S
Molecular Weight349.86 g/mol
Exact Mass349.09
IUPAC Name(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H21ClFNO3S/c1-10(2)18-22(19,20)15-6-7-21-9-11(15)8-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3/t11-,15-/m1/s1
InChIKeyHYMOVHSMTNNEKX-IAQYHMDHSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175139
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175198
3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 71633153
(3R,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177635
(3S,4S)-3-[(2-chloro-6-fluorophenyl)methyl]oxane-4-thiol
CID 97168653
(3R,4S)-3-[(4-cyanophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175161
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648184
(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide
CID 99857529
(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97167993
4-chloro-3-[(2,6-dichlorophenyl)methyl]oxane
CID 106471526
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (CID 97175144) is (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is CC(C)NS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1c(F)cccc1Cl.
What is the InChIKey of (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is HYMOVHSMTNNEKX-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H21ClFNO3S/c1-10(2)18-22(19,20)15-6-7-21-9-11(15)8-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 349.86 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 97175144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).