5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide

C16H25ClN2O3S — CID 55603646

IUPAC5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C16H25ClN2O3S/c1-12-5-6-15(17)9-16(12)23(20,21)18-7-4-8-19-10-13(2)22-14(3)11-19/h5-6,9,13-14,18H,4,7-8,10-11H2,1-3H3
InChIKeyZVCSBUFUVYJCAW-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.43
Rot. Bonds6

About 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide

5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide (PubChem CID 55603646) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
PubChem CID55603646
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C16H25ClN2O3S/c1-12-5-6-15(17)9-16(12)23(20,21)18-7-4-8-19-10-13(2)22-14(3)11-19/h5-6,9,13-14,18H,4,7-8,10-11H2,1-3H3
InChIKeyZVCSBUFUVYJCAW-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 51330970
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
6-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 55681625
ethyl 3-bromo-4-[3-(2,6-dimethylmorpholin-4-yl)propylsulfamoyl]benzoate
CID 55573442
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627500
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
CID 51330982

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide (CID 55603646) is 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCCCN1CC(C)OC(C)C1.
What is the InChIKey of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide?
The InChIKey is ZVCSBUFUVYJCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-12-5-6-15(17)9-16(12)23(20,21)18-7-4-8-19-10-13(2)22-14(3)11-19/h5-6,9,13-14,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide?
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide has a molecular weight of 360.91 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 55603646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).