5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide

C11H10F3N3O2S — CID 106056264

IUPAC5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)c[nH]1
InChIInChI=1S/C11H10F3N3O2S/c12-6-1-9(13)11(14)10(2-6)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2
InChIKeyGPIPTOJLYXFGFA-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.69
Rot. Bonds4

About 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106056264) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
PubChem CID106056264
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)c[nH]1
InChIInChI=1S/C11H10F3N3O2S/c12-6-1-9(13)11(14)10(2-6)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2
InChIKeyGPIPTOJLYXFGFA-UHFFFAOYSA-N
XLogP1.69
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106074619
5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106066663
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
5-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106065156
5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 114141286
2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide
CID 62813531
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide
CID 114138720
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide (CID 106056264) is 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is GPIPTOJLYXFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-6-1-9(13)11(14)10(2-6)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2.
What are the key properties of 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 305.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106056264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).