5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide

C13H18N4O2S — CID 106082564

IUPAC5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2ccccn2)c[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-6-14-9-11-8-12(10-16-11)20(18,19)17-13-5-3-4-7-15-13/h3-5,7-8,10,14,16H,2,6,9H2,1H3,(H,15,17)
InChIKeyCMZSZRIBHHBEJT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds7

About 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide

5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide (PubChem CID 106082564) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
PubChem CID106082564
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2ccccn2)c[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-6-14-9-11-8-12(10-16-11)20(18,19)17-13-5-3-4-7-15-13/h3-5,7-8,10,14,16H,2,6,9H2,1H3,(H,15,17)
InChIKeyCMZSZRIBHHBEJT-UHFFFAOYSA-N
XLogP1.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073264
N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106061086
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide
CID 106082529
5-(ethylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022937
5-(propylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068070
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106027622
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(2-imidazol-1-ylethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106018145
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide (CID 106082564) is 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)Nc2ccccn2)c[nH]1.
What is the InChIKey of 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The InChIKey is CMZSZRIBHHBEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-6-14-9-11-8-12(10-16-11)20(18,19)17-13-5-3-4-7-15-13/h3-5,7-8,10,14,16H,2,6,9H2,1H3,(H,15,17).
What are the key properties of 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106082564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).