N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide

C15H11ClFN3O2S — CID 166153321

IUPACN-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1c[nH]c(-c2ccccn2)c1
InChIInChI=1S/C15H11ClFN3O2S/c16-10-4-5-13(12(17)7-10)20-23(21,22)11-8-15(19-9-11)14-3-1-2-6-18-14/h1-9,19-20H
InChIKeyROTXVNHUHOLKHE-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.67
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide

N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide (PubChem CID 166153321) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
PubChem CID166153321
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1c[nH]c(-c2ccccn2)c1
InChIInChI=1S/C15H11ClFN3O2S/c16-10-4-5-13(12(17)7-10)20-23(21,22)11-8-15(19-9-11)14-3-1-2-6-18-14/h1-9,19-20H
InChIKeyROTXVNHUHOLKHE-UHFFFAOYSA-N
XLogP3.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide (CID 166153321) is N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1F)c1c[nH]c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The InChIKey is ROTXVNHUHOLKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-10-4-5-13(12(17)7-10)20-23(21,22)11-8-15(19-9-11)14-3-1-2-6-18-14/h1-9,19-20H.
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide has a molecular weight of 351.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 166153321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).