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

C12H17NO4S — CID 113482368

IUPAC3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(CO)c2)CCOC1
InChIInChI=1S/C12H17NO4S/c1-12(5-6-17-9-12)13-18(15,16)11-4-2-3-10(7-11)8-14/h2-4,7,13-14H,5-6,8-9H2,1H3
InChIKeyUUJHTNGEJGRLOB-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.64
Rot. Bonds4

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

3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 113482368) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
PubChem CID113482368
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(CO)c2)CCOC1
InChIInChI=1S/C12H17NO4S/c1-12(5-6-17-9-12)13-18(15,16)11-4-2-3-10(7-11)8-14/h2-4,7,13-14H,5-6,8-9H2,1H3
InChIKeyUUJHTNGEJGRLOB-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
N-(3-methyloxolan-3-yl)-3-propanoylbenzenesulfonamide
CID 115767116
N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896537
3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896523
3-chloro-4-(methylaminomethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107091654
3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide
CID 128586564
2-chloro-N-(3-methyloxan-3-yl)pyridine-4-sulfonamide
CID 114113555
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751
5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 115767149
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614705
4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 102704728

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide (CID 113482368) is 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide is CC1(NS(=O)(=O)c2cccc(CO)c2)CCOC1.
What is the InChIKey of 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is UUJHTNGEJGRLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-12(5-6-17-9-12)13-18(15,16)11-4-2-3-10(7-11)8-14/h2-4,7,13-14H,5-6,8-9H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide?
3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 113482368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).