5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide

C13H16FN3O2S — CID 106061783

IUPAC5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(F)cc2)c[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-2-15-8-12-7-13(9-16-12)20(18,19)17-11-5-3-10(14)4-6-11/h3-7,9,15-17H,2,8H2,1H3
InChIKeyJGIXAOQDEFTJMF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.06
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106061783) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
PubChem CID106061783
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC Name5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(F)cc2)c[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-2-15-8-12-7-13(9-16-12)20(18,19)17-11-5-3-10(14)4-6-11/h3-7,9,15-17H,2,8H2,1H3
InChIKeyJGIXAOQDEFTJMF-UHFFFAOYSA-N
XLogP2.06
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
5-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106018447
N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083665
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073264
N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106031189
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081287
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083008
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106060794

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide (CID 106061783) is 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccc(F)cc2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is JGIXAOQDEFTJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-2-15-8-12-7-13(9-16-12)20(18,19)17-11-5-3-10(14)4-6-11/h3-7,9,15-17H,2,8H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106061783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).