N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide

C14H13ClF4N4O3S — CID 118302040

IUPACN-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESC[C@@H](NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(Cl)c2)c1F)C(F)(F)F
InChIInChI=1S/C14H13ClF4N4O3S/c1-7(14(17,18)19)22-27(25,26)9-6-23(2)12(11(9)16)13(24)21-8-3-4-20-10(15)5-8/h3-7,22H,1-2H3,(H,20,21,24)/t7-/m1/s1
InChIKeyIROZBYYNDDPSLH-SSDOTTSWSA-N
MW428.80 g/mol
LogP2.69
Rot. Bonds5

About N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide

N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide (PubChem CID 118302040) has the molecular formula C14H13ClF4N4O3S and a molecular weight of 428.80 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
PubChem CID118302040
Molecular FormulaC14H13ClF4N4O3S
Molecular Weight428.80 g/mol
Exact Mass428.03
IUPAC NameN-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
SMILESC[C@@H](NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(Cl)c2)c1F)C(F)(F)F
InChIInChI=1S/C14H13ClF4N4O3S/c1-7(14(17,18)19)22-27(25,26)9-6-23(2)12(11(9)16)13(24)21-8-3-4-20-10(15)5-8/h3-7,22H,1-2H3,(H,20,21,24)/t7-/m1/s1
InChIKeyIROZBYYNDDPSLH-SSDOTTSWSA-N
XLogP2.69
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.80
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide 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-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide (CID 118302040) is N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide is C[C@@H](NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(Cl)c2)c1F)C(F)(F)F.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is IROZBYYNDDPSLH-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H13ClF4N4O3S/c1-7(14(17,18)19)22-27(25,26)9-6-23(2)12(11(9)16)13(24)21-8-3-4-20-10(15)5-8/h3-7,22H,1-2H3,(H,20,21,24)/t7-/m1/s1.
What are the key properties of N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide?
N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 428.80 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 118302040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).