3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide

C14H19N3O2S — CID 66415356

IUPAC3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
SMILESCCn1ccc(CNCc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H19N3O2S/c1-2-17-7-6-13(11-17)10-16-9-12-4-3-5-14(8-12)20(15,18)19/h3-8,11,16H,2,9-10H2,1H3,(H2,15,18,19)
InChIKeyOODRISOYSIBWLT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.45
Rot. Bonds6

About 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide

3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 66415356) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
PubChem CID66415356
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
SMILESCCn1ccc(CNCc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H19N3O2S/c1-2-17-7-6-13(11-17)10-16-9-12-4-3-5-14(8-12)20(15,18)19/h3-8,11,16H,2,9-10H2,1H3,(H2,15,18,19)
InChIKeyOODRISOYSIBWLT-UHFFFAOYSA-N
XLogP1.45
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]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-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[(1-methylpyrrol-2-yl)methylamino]methyl]benzenesulfonamide
CID 62131867
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[(1-ethylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 66414175
3-[(heptylamino)methyl]benzenesulfonamide
CID 60859949
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[(octylamino)methyl]benzenesulfonamide
CID 60860115
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
3-[[(5-bromothiophen-3-yl)methylamino]methyl]benzenesulfonamide
CID 54927129

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide (CID 66415356) is 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide is CCn1ccc(CNCc2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is OODRISOYSIBWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-17-7-6-13(11-17)10-16-9-12-4-3-5-14(8-12)20(15,18)19/h3-8,11,16H,2,9-10H2,1H3,(H2,15,18,19).
What are the key properties of 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide?
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 66415356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).