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

C13H19ClN2O3S — CID 110710013

IUPAC3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
SMILESCN1CCOC(CCNS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O3S/c1-16-7-8-19-12(10-16)5-6-15-20(17,18)13-4-2-3-11(14)9-13/h2-4,9,12,15H,5-8,10H2,1H3
InChIKeySDFFKKFMHHCVKU-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.34
Rot. Bonds5

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

3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide (PubChem CID 110710013) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
PubChem CID110710013
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
SMILESCN1CCOC(CCNS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2O3S/c1-16-7-8-19-12(10-16)5-6-15-20(17,18)13-4-2-3-11(14)9-13/h2-4,9,12,15H,5-8,10H2,1H3
InChIKeySDFFKKFMHHCVKU-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

4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709964
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
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
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
3-[(4-methylmorpholin-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 79083016
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
(2R)-2-(3-chlorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 99824434
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868
3-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]benzenesulfonamide
CID 8824103

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide (CID 110710013) is 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide is CN1CCOC(CCNS(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SDFFKKFMHHCVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-16-7-8-19-12(10-16)5-6-15-20(17,18)13-4-2-3-11(14)9-13/h2-4,9,12,15H,5-8,10H2,1H3.
What are the key properties of 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide?
3-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 3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110710013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).