(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide

C13H17Cl2NO3S — CID 97167993

IUPAC(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c1-16-20(17,18)13-4-5-19-8-10(13)6-9-2-3-11(14)12(15)7-9/h2-3,7,10,13,16H,4-6,8H2,1H3/t10-,13+/m1/s1
InChIKeyUMRSSGPRMHGINV-MFKMUULPSA-N
MW338.26 g/mol
LogP2.49
Rot. Bonds4

About (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide

(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide (PubChem CID 97167993) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
PubChem CID97167993
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c1-16-20(17,18)13-4-5-19-8-10(13)6-9-2-3-11(14)12(15)7-9/h2-3,7,10,13,16H,4-6,8H2,1H3/t10-,13+/m1/s1
InChIKeyUMRSSGPRMHGINV-MFKMUULPSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-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

(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168004
3-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648171
(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168008
(3S,4R)-N-methyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
CID 97168021
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166602
3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 71633153
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648184
(3S,4S)-3-[(2,5-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177641
(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
CID 97177651
(3S,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonyl chloride
CID 98087195

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide?
The IUPAC name of (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide (CID 97167993) is (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide.
What is the SMILES notation for (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide?
The canonical SMILES for (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide is CNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide?
The InChIKey is UMRSSGPRMHGINV-MFKMUULPSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-16-20(17,18)13-4-5-19-8-10(13)6-9-2-3-11(14)12(15)7-9/h2-3,7,10,13,16H,4-6,8H2,1H3/t10-,13+/m1/s1.
What are the key properties of (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide?
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 97167993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).