1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide

C14H21ClN2O5S2 — CID 110345689

IUPAC1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
SMILESCC1COCCN1S(=O)(=O)CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O5S2/c1-12-10-22-8-7-17(12)24(20,21)9-6-16-23(18,19)11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3
InChIKeyZIUCDASRELJSND-UHFFFAOYSA-N
MW396.92 g/mol
LogP0.81
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide (PubChem CID 110345689) has the molecular formula C14H21ClN2O5S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
PubChem CID110345689
Molecular FormulaC14H21ClN2O5S2
Molecular Weight396.92 g/mol
Exact Mass396.06
IUPAC Name1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
SMILESCC1COCCN1S(=O)(=O)CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O5S2/c1-12-10-22-8-7-17(12)24(20,21)9-6-16-23(18,19)11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3
InChIKeyZIUCDASRELJSND-UHFFFAOYSA-N
XLogP0.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
CID 110345658
5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345679
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345672
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
CID 110740261
(3R)-4-ethylsulfonyl-3-methylmorpholine
CID 106833772
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
CID 110345641
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
CID 110345613
1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
CID 110707864

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide (CID 110345689) is 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide is CC1COCCN1S(=O)(=O)CCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide?
The InChIKey is ZIUCDASRELJSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O5S2/c1-12-10-22-8-7-17(12)24(20,21)9-6-16-23(18,19)11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide has a molecular weight of 396.92 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide is sourced from PubChem (CID 110345689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).