N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide

C22H21F2N3O3S — CID 170343075

IUPACN-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2C)ccc1S(=O)(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C22H21F2N3O3S/c1-14-12-17(26-21(28)19-8-5-11-25-15(19)2)9-10-20(14)31(29,30)27-18-7-4-6-16(13-18)22(3,23)24/h4-13,27H,1-3H3,(H,26,28)
InChIKeyDVKAYTWACLMDFN-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.86
Rot. Bonds6

About N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide

N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide (PubChem CID 170343075) has the molecular formula C22H21F2N3O3S and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide
PubChem CID170343075
Molecular FormulaC22H21F2N3O3S
Molecular Weight445.49 g/mol
Exact Mass445.13
IUPAC NameN-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2C)ccc1S(=O)(=O)Nc1cccc(C(C)(F)F)c1
InChIInChI=1S/C22H21F2N3O3S/c1-14-12-17(26-21(28)19-8-5-11-25-15(19)2)9-10-20(14)31(29,30)27-18-7-4-6-16(13-18)22(3,23)24/h4-13,27H,1-3H3,(H,26,28)
InChIKeyDVKAYTWACLMDFN-UHFFFAOYSA-N
XLogP4.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-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-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169308185
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 169307992
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
CID 169307937
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide (CID 170343075) is N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2C)ccc1S(=O)(=O)Nc1cccc(C(C)(F)F)c1.
What is the InChIKey of N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is DVKAYTWACLMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S/c1-14-12-17(26-21(28)19-8-5-11-25-15(19)2)9-10-20(14)31(29,30)27-18-7-4-6-16(13-18)22(3,23)24/h4-13,27H,1-3H3,(H,26,28).
What are the key properties of N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide?
N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 170343075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).