Skip to content

N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

C22H19F2N3O3S — CID 171778315

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccc(F)cc2F)cc1)C1CC1c1ccncc1
InChIInChI=1S/C22H19F2N3O3S/c23-16-2-1-15(21(24)11-16)13-26-31(29,30)18-5-3-17(4-6-18)27-22(28)20-12-19(20)14-7-9-25-10-8-14/h1-11,19-20,26H,12-13H2,(H,27,28)
InChIKeyJJLRDPCCNZTGJI-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.58
Rot. Bonds7

About N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 171778315) has the molecular formula C22H19F2N3O3S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID171778315
Molecular FormulaC22H19F2N3O3S
Molecular Weight443.48 g/mol
Exact Mass443.11
IUPAC NameN-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccc(F)cc2F)cc1)C1CC1c1ccncc1
InChIInChI=1S/C22H19F2N3O3S/c23-16-2-1-15(21(24)11-16)13-26-31(29,30)18-5-3-17(4-6-18)27-22(28)20-12-19(20)14-7-9-25-10-8-14/h1-11,19-20,26H,12-13H2,(H,27,28)
InChIKeyJJLRDPCCNZTGJI-UHFFFAOYSA-N
XLogP3.58
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-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-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (CID 171778315) is N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccc(F)cc2F)cc1)C1CC1c1ccncc1.
What is the InChIKey of N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is JJLRDPCCNZTGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3S/c23-16-2-1-15(21(24)11-16)13-26-31(29,30)18-5-3-17(4-6-18)27-22(28)20-12-19(20)14-7-9-25-10-8-14/h1-11,19-20,26H,12-13H2,(H,27,28).
What are the key properties of N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-difluorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 171778315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.