4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide

C12H18N2O5S2 — CID 788068

IUPAC4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1
InChIInChI=1S/C12H18N2O5S2/c1-9-7-14(8-10(2)19-9)21(17,18)12-5-3-11(4-6-12)20(13,15)16/h3-6,9-10H,7-8H2,1-2H3,(H2,13,15,16)/t9-,10-/m0/s1
InChIKeyIMHLKDJRXNWNNP-UWVGGRQHSA-N
MW334.42 g/mol
LogP0.13
Rot. Bonds3

About 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide (PubChem CID 788068) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
PubChem CID788068
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1
InChIInChI=1S/C12H18N2O5S2/c1-9-7-14(8-10(2)19-9)21(17,18)12-5-3-11(4-6-12)20(13,15)16/h3-6,9-10H,7-8H2,1-2H3,(H2,13,15,16)/t9-,10-/m0/s1
InChIKeyIMHLKDJRXNWNNP-UWVGGRQHSA-N
XLogP0.13
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide 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

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2932492
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide (CID 788068) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide is C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide?
The InChIKey is IMHLKDJRXNWNNP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-9-7-14(8-10(2)19-9)21(17,18)12-5-3-11(4-6-12)20(13,15)16/h3-6,9-10H,7-8H2,1-2H3,(H2,13,15,16)/t9-,10-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide?
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 788068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).