3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

C18H25ClN2O5S — CID 1093381

IUPAC3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCOCC1
InChIInChI=1S/C18H25ClN2O5S/c19-16-12-15(27(23,24)20-14-4-2-1-3-5-14)6-7-17(16)26-13-18(22)21-8-10-25-11-9-21/h6-7,12,14,20H,1-5,8-11,13H2
InChIKeyMDPDNGLOBFMBNL-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.19
Rot. Bonds6

About 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (PubChem CID 1093381) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
PubChem CID1093381
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Name3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCOCC1
InChIInChI=1S/C18H25ClN2O5S/c19-16-12-15(27(23,24)20-14-4-2-1-3-5-14)6-7-17(16)26-13-18(22)21-8-10-25-11-9-21/h6-7,12,14,20H,1-5,8-11,13H2
InChIKeyMDPDNGLOBFMBNL-UHFFFAOYSA-N
XLogP2.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161
3-chloro-N-cyclohexyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide
CID 1254813
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
N-benzyl-3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1007908
N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 19164445
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875153
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 126383545
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-1-yl)ethanone
CID 6493062
methyl 4-[[2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126360795
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 1264165
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide
CID 133239031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (CID 1093381) is 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCOCC1.
What is the InChIKey of 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The InChIKey is MDPDNGLOBFMBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c19-16-12-15(27(23,24)20-14-4-2-1-3-5-14)6-7-17(16)26-13-18(22)21-8-10-25-11-9-21/h6-7,12,14,20H,1-5,8-11,13H2.
What are the key properties of 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide has a molecular weight of 416.93 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is sourced from PubChem (CID 1093381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).