3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide

C15H21N3O2S — CID 66414740

IUPAC3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCn1ccc(CNc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C15H21N3O2S/c1-4-18-9-8-13(12-18)11-16-14-6-5-7-15(10-14)21(19,20)17(2)3/h5-10,12,16H,4,11H2,1-3H3
InChIKeyIMVLYISAFYRXSL-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.37
Rot. Bonds6

About 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide

3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 66414740) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID66414740
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCn1ccc(CNc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C15H21N3O2S/c1-4-18-9-8-13(12-18)11-16-14-6-5-7-15(10-14)21(19,20)17(2)3/h5-10,12,16H,4,11H2,1-3H3
InChIKeyIMVLYISAFYRXSL-UHFFFAOYSA-N
XLogP2.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 66416292
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
N-[(1-ethylpyrrol-3-yl)methyl]-3-methylsulfanylaniline
CID 66399223
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43715592
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
1-N-[(1-ethylpyrrol-3-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376667
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
CID 66415356
N-[4-[(1-ethylpyrrol-3-yl)methylamino]-2-methylphenyl]methanesulfonamide
CID 66415349
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 66414740) is 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide is CCn1ccc(CNc2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is IMVLYISAFYRXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-18-9-8-13(12-18)11-16-14-6-5-7-15(10-14)21(19,20)17(2)3/h5-10,12,16H,4,11H2,1-3H3.
What are the key properties of 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 66414740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).