N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

C17H26N2O6S2 — CID 648544

IUPACN-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1
InChIInChI=1S/C17H26N2O6S2/c1-17(2)13-14(7-10-25-17)18-26(20,21)15-3-5-16(6-4-15)27(22,23)19-8-11-24-12-9-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyFVGLWZCHWVFUPJ-UHFFFAOYSA-N
MW418.54 g/mol
LogP0.94
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 648544) has the molecular formula C17H26N2O6S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID648544
Molecular FormulaC17H26N2O6S2
Molecular Weight418.54 g/mol
Exact Mass418.12
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1
InChIInChI=1S/C17H26N2O6S2/c1-17(2)13-14(7-10-25-17)18-26(20,21)15-3-5-16(6-4-15)27(22,23)19-8-11-24-12-9-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyFVGLWZCHWVFUPJ-UHFFFAOYSA-N
XLogP0.94
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide 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

N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1459677
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
1-N-butyl-4-N-(2,2-dimethyloxan-4-yl)benzene-1,4-disulfonamide
CID 4617022
N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 113336491
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 69267301
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 648544) is N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is CC1(C)CC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is FVGLWZCHWVFUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S2/c1-17(2)13-14(7-10-25-17)18-26(20,21)15-3-5-16(6-4-15)27(22,23)19-8-11-24-12-9-19/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 418.54 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 648544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).