3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide

C14H19N3O2S — CID 66416292

IUPAC3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCn1ccc(CNc2cccc(S(=O)(=O)NC)c2)c1
InChIInChI=1S/C14H19N3O2S/c1-3-17-8-7-12(11-17)10-16-13-5-4-6-14(9-13)20(18,19)15-2/h4-9,11,15-16H,3,10H2,1-2H3
InChIKeyYSMTZFBDAXRQLR-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.03
Rot. Bonds6

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

3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 66416292) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID66416292
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCn1ccc(CNc2cccc(S(=O)(=O)NC)c2)c1
InChIInChI=1S/C14H19N3O2S/c1-3-17-8-7-12(11-17)10-16-13-5-4-6-14(9-13)20(18,19)15-2/h4-9,11,15-16H,3,10H2,1-2H3
InChIKeyYSMTZFBDAXRQLR-UHFFFAOYSA-N
XLogP2.03
TPSA63.13 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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 66414740
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
N-[(1-ethylpyrrol-3-yl)methyl]-3-methylsulfanylaniline
CID 66399223
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide (CID 66416292) is 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide is CCn1ccc(CNc2cccc(S(=O)(=O)NC)c2)c1.
What is the InChIKey of 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is YSMTZFBDAXRQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-17-8-7-12(11-17)10-16-13-5-4-6-14(9-13)20(18,19)15-2/h4-9,11,15-16H,3,10H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide?
3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.03, 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]-N-methylbenzenesulfonamide is sourced from PubChem (CID 66416292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).