5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide

C11H17ClN2O5S3 — CID 110345680

IUPAC5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
SMILESCC1COCCN1S(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O5S3/c1-9-8-19-6-5-14(9)21(15,16)7-4-13-22(17,18)11-3-2-10(12)20-11/h2-3,9,13H,4-8H2,1H3
InChIKeyBXPJWTJISVNCEA-UHFFFAOYSA-N
MW388.92 g/mol
LogP0.73
Rot. Bonds6

About 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide (PubChem CID 110345680) has the molecular formula C11H17ClN2O5S3 and a molecular weight of 388.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
PubChem CID110345680
Molecular FormulaC11H17ClN2O5S3
Molecular Weight388.92 g/mol
Exact Mass388.00
IUPAC Name5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
SMILESCC1COCCN1S(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2O5S3/c1-9-8-19-6-5-14(9)21(15,16)7-4-13-22(17,18)11-3-2-10(12)20-11/h2-3,9,13H,4-8H2,1H3
InChIKeyBXPJWTJISVNCEA-UHFFFAOYSA-N
XLogP0.73
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345679
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345672
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
CID 110345658
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110397622
N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661936
(3R)-4-ethylsulfonyl-3-methylmorpholine
CID 106833772
5-chloro-N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345807
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
CID 75467486
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide (CID 110345680) is 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide is CC1COCCN1S(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
The InChIKey is BXPJWTJISVNCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O5S3/c1-9-8-19-6-5-14(9)21(15,16)7-4-13-22(17,18)11-3-2-10(12)20-11/h2-3,9,13H,4-8H2,1H3.
What are the key properties of 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide has a molecular weight of 388.92 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110345680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).