4-(dimethylamino)-N,N-diethylbenzenesulfonamide

C12H20N2O2S — CID 11043368

IUPAC4-(dimethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-5-14(6-2)17(15,16)12-9-7-11(8-10-12)13(3)4/h7-10H,5-6H2,1-4H3
InChIKeyDGVVRYOPWMDGER-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.78
Rot. Bonds5

About 4-(dimethylamino)-N,N-diethylbenzenesulfonamide

4-(dimethylamino)-N,N-diethylbenzenesulfonamide (PubChem CID 11043368) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(dimethylamino)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-N,N-diethylbenzenesulfonamide
PubChem CID11043368
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(dimethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-5-14(6-2)17(15,16)12-9-7-11(8-10-12)13(3)4/h7-10H,5-6H2,1-4H3
InChIKeyDGVVRYOPWMDGER-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
4-(2-deuterioethynyl)-N,N-diethylbenzenesulfonamide
CID 163281778
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
lithium 4-(dimethylamino)benzenesulfonate
CID 59248340
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N,N-bis(but-2-ynyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
CID 102168127

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-N,N-diethylbenzenesulfonamide (CID 11043368) is 4-(dimethylamino)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
The InChIKey is DGVVRYOPWMDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(6-2)17(15,16)12-9-7-11(8-10-12)13(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N,N-diethylbenzenesulfonamide?
4-(dimethylamino)-N,N-diethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 11043368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).