N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide

C22H31N3O5S2 — CID 4024925

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H31N3O5S2/c1-5-25(6-2)32(28,29)20-9-10-22(24-11-13-30-14-12-24)21(16-20)23-31(26,27)19-8-7-17(3)18(4)15-19/h7-10,15-16,23H,5-6,11-14H2,1-4H3
InChIKeyXLWJSCSRFPBMMF-UHFFFAOYSA-N
MW481.64 g/mol
LogP2.97
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 4024925) has the molecular formula C22H31N3O5S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID4024925
Molecular FormulaC22H31N3O5S2
Molecular Weight481.64 g/mol
Exact Mass481.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H31N3O5S2/c1-5-25(6-2)32(28,29)20-9-10-22(24-11-13-30-14-12-24)21(16-20)23-31(26,27)19-8-7-17(3)18(4)15-19/h7-10,15-16,23H,5-6,11-14H2,1-4H3
InChIKeyXLWJSCSRFPBMMF-UHFFFAOYSA-N
XLogP2.97
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
3-(benzylamino)-4-(cyclohexylamino)-N-(2-methoxyethyl)benzenesulfonamide
CID 139391335
3-(benzylamino)-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145954929
N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide
CID 1921979
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2089202
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 2318822
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide
CID 2472272
4-tert-butyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 3338291
5-tert-butyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methylbenzenesulfonamide
CID 4009065
3,4-dimethyl-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)aniline
CID 4037401
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(2-fluorophenyl)acetamide
CID 4619685
4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 4969706

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide (CID 4024925) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is XLWJSCSRFPBMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S2/c1-5-25(6-2)32(28,29)20-9-10-22(24-11-13-30-14-12-24)21(16-20)23-31(26,27)19-8-7-17(3)18(4)15-19/h7-10,15-16,23H,5-6,11-14H2,1-4H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 481.64 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 4024925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).