N,N-diethyl-2,4,5-trimethylbenzenesulfonamide

C13H21NO2S — CID 802889

IUPACN,N-diethyl-2,4,5-trimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H21NO2S/c1-6-14(7-2)17(15,16)13-9-11(4)10(3)8-12(13)5/h8-9H,6-7H2,1-5H3
InChIKeyGBUMXSGGGIUWGB-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.64
Rot. Bonds4

About N,N-diethyl-2,4,5-trimethylbenzenesulfonamide

N,N-diethyl-2,4,5-trimethylbenzenesulfonamide (PubChem CID 802889) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N,N-diethyl-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,4,5-trimethylbenzenesulfonamide
PubChem CID802889
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN,N-diethyl-2,4,5-trimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H21NO2S/c1-6-14(7-2)17(15,16)13-9-11(4)10(3)8-12(13)5/h8-9H,6-7H2,1-5H3
InChIKeyGBUMXSGGGIUWGB-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethylbenzenesulfonic acid
CID 294870
4-[(2,3,4,5,6-Pentamethylphenyl)sulfonyl]thiomorpholine
CID 2804956
1-(Mesitylsulfonyl)pyrrolidine
CID 780023
4-[(2,4,5-Trimethylphenyl)sulfonyl]morpholine
CID 802296
N,N-diethyl-3,4-dimethylbenzenesulfonamide
CID 883188
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
1-Methyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane
CID 2384257
4-[(2,3,5,6-Tetramethylphenyl)sulfonyl]thiomorpholine
CID 6462784
N,N-Diethyl-2,4,6-trimethylbenzenesulfonamide
CID 669055
2,3,5,6-Tetramethylbenzene-1-sulfonamide
CID 5028412
1-(4-Propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684660

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-2,4,5-trimethylbenzenesulfonamide (CID 802889) is N,N-diethyl-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-2,4,5-trimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of N,N-diethyl-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is GBUMXSGGGIUWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-14(7-2)17(15,16)13-9-11(4)10(3)8-12(13)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-2,4,5-trimethylbenzenesulfonamide?
N,N-diethyl-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 802889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).