2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C13H19NO4S — CID 82745252

IUPAC2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C13H19NO4S/c1-10-12(7-8-18-10)14(2)19(16,17)13-6-4-3-5-11(13)9-15/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyZYBOAAKIHDLQSF-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.98
Rot. Bonds4

About 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82745252) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82745252
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C13H19NO4S/c1-10-12(7-8-18-10)14(2)19(16,17)13-6-4-3-5-11(13)9-15/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyZYBOAAKIHDLQSF-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82878733
2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740399
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 82745499
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82734442
5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745833
4-N-methyl-4-N-(2-methyloxolan-3-yl)benzene-1,4-disulfonamide
CID 82729852
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82879991
4-(chloromethyl)-2-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 102704270
1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 82745144
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748477

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82745252) is 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1N(C)S(=O)(=O)c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is ZYBOAAKIHDLQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-12(7-8-18-10)14(2)19(16,17)13-6-4-3-5-11(13)9-15/h3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82745252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).