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

C13H19ClN2O3S — CID 110710630

IUPAC2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CN(C)S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN2O3S/c1-15-7-8-19-11(9-15)10-16(2)20(17,18)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyMGLZVACEKNEUSB-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.29
Rot. Bonds4

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

2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110710630) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110710630
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CN(C)S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN2O3S/c1-15-7-8-19-11(9-15)10-16(2)20(17,18)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyMGLZVACEKNEUSB-UHFFFAOYSA-N
XLogP1.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710600
N-[4-[methyl-[(4-methylmorpholin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 110710615
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110710626
4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline
CID 81201070
N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 118549662
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710540
N-(2,6-dichlorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960893
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072081
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 110710630) is 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is CN1CCOC(CN(C)S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is MGLZVACEKNEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-15-7-8-19-11(9-15)10-16(2)20(17,18)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).