N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide

C12H20N2O3S — CID 35582178

IUPACN,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC)c1
InChIInChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)10-7-8-12(17-4)11(9-10)13-3/h7-9,13H,5-6H2,1-4H3
InChIKeyPANCMEKHBHVWOX-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.77
Rot. Bonds6

About N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide

N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide (PubChem CID 35582178) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
PubChem CID35582178
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC)c1
InChIInChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)10-7-8-12(17-4)11(9-10)13-3/h7-9,13H,5-6H2,1-4H3
InChIKeyPANCMEKHBHVWOX-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
CID 4802800
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
CID 3735954
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
2,3-dichloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzenesulfonamide
CID 4319845
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 3763909
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide (CID 35582178) is N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC)c1.
What is the InChIKey of N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide?
The InChIKey is PANCMEKHBHVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-5-14(6-2)18(15,16)10-7-8-12(17-4)11(9-10)13-3/h7-9,13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide?
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide is sourced from PubChem (CID 35582178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).