2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C14H20N2O3S — CID 65376100

IUPAC2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-9-8-10(2)13(20(15,18)19)11(3)12(9)14(17)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,15,18,19)
InChIKeySAUGKOSOTBVXDU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.50
Rot. Bonds2

About 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 65376100) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID65376100
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-9-8-10(2)13(20(15,18)19)11(3)12(9)14(17)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,15,18,19)
InChIKeySAUGKOSOTBVXDU-UHFFFAOYSA-N
XLogP1.50
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
N-ethyl-N,2,4,6-tetramethyl-3-sulfamoylbenzamide
CID 65375039
oxetan-3-yl 2,4,6-trimethyl-3-sulfamoylbenzoate
CID 102608695
2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65373779
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 110810074
2,4,6-trimethyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373603
N,2,4,6-tetramethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65388716
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069442
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 65376100) is 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1cc(C)c(S(N)(=O)=O)c(C)c1C(=O)N1CCCC1.
What is the InChIKey of 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is SAUGKOSOTBVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-8-10(2)13(20(15,18)19)11(3)12(9)14(17)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,15,18,19).
What are the key properties of 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65376100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).