2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

C18H26N2O2S — CID 110641451

IUPAC2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2cc(C)n(C)c2C)c(C)c1
InChIInChI=1S/C18H26N2O2S/c1-12-9-13(2)18(14(3)10-12)23(21,22)19-8-7-17-11-15(4)20(6)16(17)5/h9-11,19H,7-8H2,1-6H3
InChIKeyQFVGYKMFVQAGDL-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.09
Rot. Bonds5

About 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110641451) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110641451
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2cc(C)n(C)c2C)c(C)c1
InChIInChI=1S/C18H26N2O2S/c1-12-9-13(2)18(14(3)10-12)23(21,22)19-8-7-17-11-15(4)20(6)16(17)5/h9-11,19H,7-8H2,1-6H3
InChIKeyQFVGYKMFVQAGDL-UHFFFAOYSA-N
XLogP3.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110415649
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110641438
5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110415650
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415642
N-methyl-2-(1,2,5-trimethylpyrrol-3-yl)ethanamine
CID 82490467
1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110415635
2,4,6-trimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207248
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 4054510
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110641803
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 22208789
2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15943551

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110641451) is 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCc2cc(C)n(C)c2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is QFVGYKMFVQAGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-12-9-13(2)18(14(3)10-12)23(21,22)19-8-7-17-11-15(4)20(6)16(17)5/h9-11,19H,7-8H2,1-6H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 334.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110641451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).