2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

C15H20N2O2S — CID 110789248

IUPAC2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccn(C)c2)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-12-4-5-15(13(2)10-12)20(18,19)16-8-6-14-7-9-17(3)11-14/h4-5,7,9-11,16H,6,8H2,1-3H3
InChIKeyPMUFECUJLFTWMH-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.16
Rot. Bonds5

About 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789248) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789248
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccn(C)c2)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-12-4-5-15(13(2)10-12)20(18,19)16-8-6-14-7-9-17(3)11-14/h4-5,7,9-11,16H,6,8H2,1-3H3
InChIKeyPMUFECUJLFTWMH-UHFFFAOYSA-N
XLogP2.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248631
2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789260
5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
4-ethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789250
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
2,4-dimethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891005
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 22578602
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789248) is 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccn(C)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is PMUFECUJLFTWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-4-5-15(13(2)10-12)20(18,19)16-8-6-14-7-9-17(3)11-14/h4-5,7,9-11,16H,6,8H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).