5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide

C13H18N4O2S — CID 106086968

IUPAC5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cccc(C)n2)c[nH]1
InChIInChI=1S/C13H18N4O2S/c1-3-14-8-11-7-12(9-15-11)20(18,19)17-13-6-4-5-10(2)16-13/h4-7,9,14-15H,3,8H2,1-2H3,(H,16,17)
InChIKeyZIOGGZMAIBLQQB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.63
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106086968) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
PubChem CID106086968
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cccc(C)n2)c[nH]1
InChIInChI=1S/C13H18N4O2S/c1-3-14-8-11-7-12(9-15-11)20(18,19)17-13-6-4-5-10(2)16-13/h4-7,9,14-15H,3,8H2,1-2H3,(H,16,17)
InChIKeyZIOGGZMAIBLQQB-UHFFFAOYSA-N
XLogP1.63
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 4877436
6-amino-N,N-dimethylpyridine-3-sulfonamide
CID 5267643
N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide
CID 4799617
N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide
CID 4825866
US9156811, Ddd85629
CID 57393583
Benzenesulfonamide, n-2-pyridinyl-
CID 261514
6-Aminopyridin-1-ium-3-sulfonate
CID 1572727
N-Methyl-2-(4-methyl-1-piperazinyl)-3-pyridinesulfonamide
CID 217035
N,N-diethyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741687
N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine
CID 4788794
3-Pyridinesulfonamide, N-methyl-6-(4-methyl-1-piperazinyl)-
CID 217025

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide (CID 106086968) is 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2cccc(C)n2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ZIOGGZMAIBLQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-14-8-11-7-12(9-15-11)20(18,19)17-13-6-4-5-10(2)16-13/h4-7,9,14-15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106086968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).