5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide

C15H21N3O2S — CID 106088937

IUPAC5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(CN)n(C)c2)cc1
InChIInChI=1S/C15H21N3O2S/c1-3-12-4-6-13(7-5-12)10-17-21(19,20)15-8-14(9-16)18(2)11-15/h4-8,11,17H,3,9-10,16H2,1-2H3
InChIKeyUEGNCRODOBEPSI-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.52
Rot. Bonds6

About 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide

5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide (PubChem CID 106088937) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
PubChem CID106088937
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(CN)n(C)c2)cc1
InChIInChI=1S/C15H21N3O2S/c1-3-12-4-6-13(7-5-12)10-17-21(19,20)15-8-14(9-16)18(2)11-15/h4-8,11,17H,3,9-10,16H2,1-2H3
InChIKeyUEGNCRODOBEPSI-UHFFFAOYSA-N
XLogP1.52
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106077299
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106051880
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899207
5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
CID 113489226
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide (CID 106088937) is 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide is CCc1ccc(CNS(=O)(=O)c2cc(CN)n(C)c2)cc1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide?
The InChIKey is UEGNCRODOBEPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-12-4-6-13(7-5-12)10-17-21(19,20)15-8-14(9-16)18(2)11-15/h4-8,11,17H,3,9-10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106088937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).