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

C22H19F2N3O3S — CID 171778315

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

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Related Compounds

N-[4-[(2-chlorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 171778271
N-[4-[(2,6-difluorophenyl)methyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 171778374
N-[4-[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]sulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 171778327
N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 135200030
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-(1,2,3,6-tetrahydropyridin-5-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 155370506
2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 55476541
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 135374861
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465724
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51295136
trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 170036729

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).