4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

C12H17NO4S — CID 82745836

IUPAC4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C12H17NO4S/c1-13(11-6-7-17-9-11)18(15,16)12-4-2-10(8-14)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyBXROALBEZIUHHX-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.59
Rot. Bonds4

About 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82745836) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82745836
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C12H17NO4S/c1-13(11-6-7-17-9-11)18(15,16)12-4-2-10(8-14)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyBXROALBEZIUHHX-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[methyl(oxolan-3-yl)sulfamoyl]phenyl]propanoic acid
CID 82732341
4-(cyanomethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 79477174
N-methyl-N-[(3S)-oxolan-3-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 99859364
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748017
3-(hydroxymethyl)-4-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744468
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
3-chloro-4-(hydroxymethyl)-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 107090640
6-(ethylamino)-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82744212
4-[methyl(oxolan-3-yl)sulfamoyl]-2-(trifluoromethyl)benzoic acid
CID 138001320

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82745836) is 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CN(C1CCOC1)S(=O)(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is BXROALBEZIUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-13(11-6-7-17-9-11)18(15,16)12-4-2-10(8-14)3-5-12/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82745836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).