5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide

C14H20N4O2S — CID 106022937

IUPAC5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)c2ccccn2)c[nH]1
InChIInChI=1S/C14H20N4O2S/c1-3-15-9-12-8-13(10-17-12)21(19,20)18-11(2)14-6-4-5-7-16-14/h4-8,10-11,15,17-18H,3,9H2,1-2H3
InChIKeyRXBCWACRQBHQKV-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.56
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106022937) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106022937
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)c2ccccn2)c[nH]1
InChIInChI=1S/C14H20N4O2S/c1-3-15-9-12-8-13(10-17-12)21(19,20)18-11(2)14-6-4-5-7-16-14/h4-8,10-11,15,17-18H,3,9H2,1-2H3
InChIKeyRXBCWACRQBHQKV-UHFFFAOYSA-N
XLogP1.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022849
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
5-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106068793
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide (CID 106022937) is 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(C)c2ccccn2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is RXBCWACRQBHQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-15-9-12-8-13(10-17-12)21(19,20)18-11(2)14-6-4-5-7-16-14/h4-8,10-11,15,17-18H,3,9H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106022937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).