4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

C13H19NO4S — CID 82748017

IUPAC4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C13H19NO4S/c1-10(15)11-3-5-13(6-4-11)19(16,17)14(2)12-7-8-18-9-12/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyKUUUWBRRKCXRMV-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.15
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82748017) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82748017
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)N(C)C2CCOC2)cc1
InChIInChI=1S/C13H19NO4S/c1-10(15)11-3-5-13(6-4-11)19(16,17)14(2)12-7-8-18-9-12/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyKUUUWBRRKCXRMV-UHFFFAOYSA-N
XLogP1.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
3-(1-aminoethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739570
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
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
3-(hydroxymethyl)-4-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744468
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
4-[methyl(oxolan-3-yl)sulfamoyl]-2-(trifluoromethyl)benzoic acid
CID 138001320
3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739201

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82748017) is 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)N(C)C2CCOC2)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is KUUUWBRRKCXRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(15)11-3-5-13(6-4-11)19(16,17)14(2)12-7-8-18-9-12/h3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 285.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82748017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).