N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide

C22H26Cl2N2O4S — CID 55996926

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)ccc1Cl
InChIInChI=1S/C22H26Cl2N2O4S/c1-3-26(4-2)31(28,29)20-15-18(8-9-19(20)24)25-21(27)22(10-12-30-13-11-22)16-6-5-7-17(23)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,27)
InChIKeyDIPZRTVMBCMWDN-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.71
Rot. Bonds7

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide (PubChem CID 55996926) has the molecular formula C22H26Cl2N2O4S and a molecular weight of 485.43 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide
PubChem CID55996926
Molecular FormulaC22H26Cl2N2O4S
Molecular Weight485.43 g/mol
Exact Mass484.10
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)ccc1Cl
InChIInChI=1S/C22H26Cl2N2O4S/c1-3-26(4-2)31(28,29)20-15-18(8-9-19(20)24)25-21(27)22(10-12-30-13-11-22)16-6-5-7-17(23)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,27)
InChIKeyDIPZRTVMBCMWDN-UHFFFAOYSA-N
XLogP4.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559295
4-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)oxane-4-carboxamide
CID 86828959
4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 120917638
2-[4-[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696695
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
[2-(3-chloroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510805
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide (CID 55996926) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
The InChIKey is DIPZRTVMBCMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O4S/c1-3-26(4-2)31(28,29)20-15-18(8-9-19(20)24)25-21(27)22(10-12-30-13-11-22)16-6-5-7-17(23)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,27).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide has a molecular weight of 485.43 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(3-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 55996926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).