4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide

C13H18ClNO4S — CID 106002146

IUPAC4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CCOC1)c1ccc(Cl)c(CO)c1
InChIInChI=1S/C13H18ClNO4S/c14-13-2-1-12(7-11(13)8-16)20(17,18)15-5-3-10-4-6-19-9-10/h1-2,7,10,15-16H,3-6,8-9H2
InChIKeyKSUBKPLWKNDOEB-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.54
Rot. Bonds6

About 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide

4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide (PubChem CID 106002146) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
PubChem CID106002146
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CCOC1)c1ccc(Cl)c(CO)c1
InChIInChI=1S/C13H18ClNO4S/c14-13-2-1-12(7-11(13)8-16)20(17,18)15-5-3-10-4-6-19-9-10/h1-2,7,10,15-16H,3-6,8-9H2
InChIKeyKSUBKPLWKNDOEB-UHFFFAOYSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-fluoro-5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002093
5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106002154
2-bromo-4-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002108
5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002086
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
4-chloro-3-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106423534
2-fluoro-5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092820
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
2-bromo-4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide (CID 106002146) is 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1CCOC1)c1ccc(Cl)c(CO)c1.
What is the InChIKey of 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
The InChIKey is KSUBKPLWKNDOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c14-13-2-1-12(7-11(13)8-16)20(17,18)15-5-3-10-4-6-19-9-10/h1-2,7,10,15-16H,3-6,8-9H2.
What are the key properties of 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide?
4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106002146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).