N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C19H26N2O5S2 — CID 100528166

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1
InChIInChI=1S/C19H26N2O5S2/c1-6-21(7-2)28(24,25)17-10-8-16(9-11-17)20-27(22,23)19-13-14(3)18(26-5)12-15(19)4/h8-13,20H,6-7H2,1-5H3
InChIKeyVDYFQAWPDQBDJV-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.14
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 100528166) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID100528166
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1
InChIInChI=1S/C19H26N2O5S2/c1-6-21(7-2)28(24,25)17-10-8-16(9-11-17)20-27(22,23)19-13-14(3)18(26-5)12-15(19)4/h8-13,20H,6-7H2,1-5H3
InChIKeyVDYFQAWPDQBDJV-UHFFFAOYSA-N
XLogP3.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
2,3-dichloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzenesulfonamide
CID 1295972
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 5031227
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015764
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 94618191

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 100528166) is N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is VDYFQAWPDQBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-6-21(7-2)28(24,25)17-10-8-16(9-11-17)20-27(22,23)19-13-14(3)18(26-5)12-15(19)4/h8-13,20H,6-7H2,1-5H3.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 100528166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).