4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

C14H19ClN2O4S — CID 46798182

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)ccc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-17(2)22(19,20)13-8-10(5-6-12(13)15)14(18)16-9-11-4-3-7-21-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyAZEHBHFUGRSDPY-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.50
Rot. Bonds5

About 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46798182) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46798182
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)ccc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-17(2)22(19,20)13-8-10(5-6-12(13)15)14(18)16-9-11-4-3-7-21-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyAZEHBHFUGRSDPY-UHFFFAOYSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4782416
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 26057843
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 41152372
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
3-chloro-4-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 34551600
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (CID 46798182) is 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is AZEHBHFUGRSDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-17(2)22(19,20)13-8-10(5-6-12(13)15)14(18)16-9-11-4-3-7-21-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 346.84 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46798182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).