N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C18H20F2N2O3S2 — CID 26499284

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2O3S2/c1-12(2)22(3)27(24,25)16-6-4-5-13(11-16)17(23)21-14-7-9-15(10-8-14)26-18(19)20/h4-12,18H,1-3H3,(H,21,23)
InChIKeyDYGQEQAGHPMZIK-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.28
Rot. Bonds7

About N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 26499284) has the molecular formula C18H20F2N2O3S2 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID26499284
Molecular FormulaC18H20F2N2O3S2
Molecular Weight414.50 g/mol
Exact Mass414.09
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2O3S2/c1-12(2)22(3)27(24,25)16-6-4-5-13(11-16)17(23)21-14-7-9-15(10-8-14)26-18(19)20/h4-12,18H,1-3H3,(H,21,23)
InChIKeyDYGQEQAGHPMZIK-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide 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-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26499246
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26747065
N-(3-amino-4-methoxyphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119419750
N-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112759122
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145
3-(benzamidocarbamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 46651951
3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46423962
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 26499284) is N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is DYGQEQAGHPMZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S2/c1-12(2)22(3)27(24,25)16-6-4-5-13(11-16)17(23)21-14-7-9-15(10-8-14)26-18(19)20/h4-12,18H,1-3H3,(H,21,23).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 26499284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).