4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide

C13H19ClN2O3S — CID 110709964

IUPAC4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
SMILESCN1CCOC(CCNS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2O3S/c1-16-8-9-19-12(10-16)6-7-15-20(17,18)13-4-2-11(14)3-5-13/h2-5,12,15H,6-10H2,1H3
InChIKeyRYLGMEGXAVZWNK-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.34
Rot. Bonds5

About 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide (PubChem CID 110709964) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
PubChem CID110709964
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
SMILESCN1CCOC(CCNS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2O3S/c1-16-8-9-19-12(10-16)6-7-15-20(17,18)13-4-2-11(14)3-5-13/h2-5,12,15H,6-10H2,1H3
InChIKeyRYLGMEGXAVZWNK-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110710013
5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide
CID 95215739
2,4-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709979
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 79071689
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 115602812
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide (CID 110709964) is 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide is CN1CCOC(CCNS(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is RYLGMEGXAVZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-16-8-9-19-12(10-16)6-7-15-20(17,18)13-4-2-11(14)3-5-13/h2-5,12,15H,6-10H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110709964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).