N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide

C14H21NO5S2 — CID 95382932

IUPACN,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CS(=O)(=O)C[C@H]2CCCO2)c1
InChIInChI=1S/C14H21NO5S2/c1-15(2)22(18,19)14-7-3-5-12(9-14)10-21(16,17)11-13-6-4-8-20-13/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGCWCNCNHLRIXDA-CYBMUJFWSA-N
MW347.46 g/mol
LogP1.03
Rot. Bonds6

About N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide

N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide (PubChem CID 95382932) has the molecular formula C14H21NO5S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide
PubChem CID95382932
Molecular FormulaC14H21NO5S2
Molecular Weight347.46 g/mol
Exact Mass347.09
IUPAC NameN,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CS(=O)(=O)C[C@H]2CCCO2)c1
InChIInChI=1S/C14H21NO5S2/c1-15(2)22(18,19)14-7-3-5-12(9-14)10-21(16,17)11-13-6-4-8-20-13/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyGCWCNCNHLRIXDA-CYBMUJFWSA-N
XLogP1.03
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
CID 122135921
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanamide
CID 129419023
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide
CID 52872489
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide (CID 95382932) is N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)C[C@H]2CCCO2)c1.
What is the InChIKey of N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide?
The InChIKey is GCWCNCNHLRIXDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO5S2/c1-15(2)22(18,19)14-7-3-5-12(9-14)10-21(16,17)11-13-6-4-8-20-13/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide?
N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide has a molecular weight of 347.46 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]benzenesulfonamide is sourced from PubChem (CID 95382932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).