4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C17H25NO6S2 — CID 130460889

IUPAC4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(CC1CCOCC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H25NO6S2/c19-25(20,13-14-7-10-23-11-8-14)16-3-5-17(6-4-16)26(21,22)18-12-15-2-1-9-24-15/h3-6,14-15,18H,1-2,7-13H2
InChIKeyIHFMTQAUBRGLQJ-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.34
Rot. Bonds7

About 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 130460889) has the molecular formula C17H25NO6S2 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID130460889
Molecular FormulaC17H25NO6S2
Molecular Weight403.52 g/mol
Exact Mass403.11
IUPAC Name4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(CC1CCOCC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H25NO6S2/c19-25(20,13-14-7-10-23-11-8-14)16-3-5-17(6-4-16)26(21,22)18-12-15-2-1-9-24-15/h3-6,14-15,18H,1-2,7-13H2
InChIKeyIHFMTQAUBRGLQJ-UHFFFAOYSA-N
XLogP1.34
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide 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-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
1-N-(oxolan-2-ylmethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide
CID 644660
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 130460889) is 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is O=S(=O)(CC1CCOCC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is IHFMTQAUBRGLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6S2/c19-25(20,13-14-7-10-23-11-8-14)16-3-5-17(6-4-16)26(21,22)18-12-15-2-1-9-24-15/h3-6,14-15,18H,1-2,7-13H2.
What are the key properties of 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 403.52 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylsulfonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 130460889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).