N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide

C20H17F2N3O3S2 — CID 42992554

IUPACN-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H17F2N3O3S2/c1-13-4-5-16(24-19(26)14-3-2-10-23-12-14)11-18(13)30(27,28)25-15-6-8-17(9-7-15)29-20(21)22/h2-12,20,25H,1H3,(H,24,26)
InChIKeyPCLJZEGFINKDGG-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.76
Rot. Bonds7

About N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide

N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide (PubChem CID 42992554) has the molecular formula C20H17F2N3O3S2 and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
PubChem CID42992554
Molecular FormulaC20H17F2N3O3S2
Molecular Weight449.50 g/mol
Exact Mass449.07
IUPAC NameN-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H17F2N3O3S2/c1-13-4-5-16(24-19(26)14-3-2-10-23-12-14)11-18(13)30(27,28)25-15-6-8-17(9-7-15)29-20(21)22/h2-12,20,25H,1H3,(H,24,26)
InChIKeyPCLJZEGFINKDGG-UHFFFAOYSA-N
XLogP4.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30735593
trans-(1R,2R)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 25342315
1-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]-3-(4-nitrophenyl)urea
CID 4102923
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 37119295
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide (CID 42992554) is N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
The InChIKey is PCLJZEGFINKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S2/c1-13-4-5-16(24-19(26)14-3-2-10-23-12-14)11-18(13)30(27,28)25-15-6-8-17(9-7-15)29-20(21)22/h2-12,20,25H,1H3,(H,24,26).
What are the key properties of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 42992554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).