N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide

C26H32N2O4S2 — CID 6432220

IUPACN-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(N(S(=O)(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H32N2O4S2/c1-7-27(8-2)23-11-13-24(14-12-23)28(33(29,30)25-15-9-19(3)21(5)17-25)34(31,32)26-16-10-20(4)22(6)18-26/h9-18H,7-8H2,1-6H3
InChIKeyKLTGOXURDPDGLK-UHFFFAOYSA-N
MW500.69 g/mol
LogP5.35
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide

N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide (PubChem CID 6432220) has the molecular formula C26H32N2O4S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide
PubChem CID6432220
Molecular FormulaC26H32N2O4S2
Molecular Weight500.69 g/mol
Exact Mass500.18
IUPAC NameN-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(N(S(=O)(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H32N2O4S2/c1-7-27(8-2)23-11-13-24(14-12-23)28(33(29,30)25-15-9-19(3)21(5)17-25)34(31,32)26-16-10-20(4)22(6)18-26/h9-18H,7-8H2,1-6H3
InChIKeyKLTGOXURDPDGLK-UHFFFAOYSA-N
XLogP5.35
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-methylsulfonylaniline
CID 145223146
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
CID 90181116
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125425039
N,N-diethyl-4-(trifluoromethylsulfonyl)aniline
CID 890760
potassium 1-(diethylamino)-4-sulfonatosulfanylbenzene
CID 21204713
N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
CID 21292728
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide (CID 6432220) is N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide is CCN(CC)c1ccc(N(S(=O)(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide?
The InChIKey is KLTGOXURDPDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S2/c1-7-27(8-2)23-11-13-24(14-12-23)28(33(29,30)25-15-9-19(3)21(5)17-25)34(31,32)26-16-10-20(4)22(6)18-26/h9-18H,7-8H2,1-6H3.
What are the key properties of N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide?
N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide has a molecular weight of 500.69 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 6432220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).