N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C16H18FN3O3S — CID 35300489

IUPACN-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NCc2ccccc2F)c[nH]1)N1CCCC1
InChIInChI=1S/C16H18FN3O3S/c17-14-6-2-1-5-12(14)10-19-24(22,23)13-9-15(18-11-13)16(21)20-7-3-4-8-20/h1-2,5-6,9,11,18-19H,3-4,7-8,10H2
InChIKeySSIPOLGKZBRMIM-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.87
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 35300489) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID35300489
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)NCc2ccccc2F)c[nH]1)N1CCCC1
InChIInChI=1S/C16H18FN3O3S/c17-14-6-2-1-5-12(14)10-19-24(22,23)13-9-15(18-11-13)16(21)20-7-3-4-8-20/h1-2,5-6,9,11,18-19H,3-4,7-8,10H2
InChIKeySSIPOLGKZBRMIM-UHFFFAOYSA-N
XLogP1.87
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 35300489) is N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)NCc2ccccc2F)c[nH]1)N1CCCC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is SSIPOLGKZBRMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c17-14-6-2-1-5-12(14)10-19-24(22,23)13-9-15(18-11-13)16(21)20-7-3-4-8-20/h1-2,5-6,9,11,18-19H,3-4,7-8,10H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 351.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 35300489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).