4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide

C19H13F4NO3S2 — CID 60533915

IUPAC4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F4NO3S2/c20-13-5-8-17(16(21)10-13)24(11-14-2-1-9-28-14)18(25)12-3-6-15(7-4-12)29(26,27)19(22)23/h1-10,19H,11H2
InChIKeyZKDZOSHPZILRTB-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.87
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide

4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 60533915) has the molecular formula C19H13F4NO3S2 and a molecular weight of 443.44 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID60533915
Molecular FormulaC19H13F4NO3S2
Molecular Weight443.44 g/mol
Exact Mass443.03
IUPAC Name4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F4NO3S2/c20-13-5-8-17(16(21)10-13)24(11-14-2-1-9-28-14)18(25)12-3-6-15(7-4-12)29(26,27)19(22)23/h1-10,19H,11H2
InChIKeyZKDZOSHPZILRTB-UHFFFAOYSA-N
XLogP4.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9094982
N-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55886990
N-(2,4-difluorophenyl)-1-methyl-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55887242
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55887371
N-(2,4-difluorophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 75526110
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499455
3-(4-acetamidophenyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 76866308
4-(difluoromethylsulfonyl)-N-(2-thiophen-2-ylethyl)aniline
CID 43455311
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
(3S)-N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 96543522
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide (CID 60533915) is 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1cccs1)c1ccc(F)cc1F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZKDZOSHPZILRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO3S2/c20-13-5-8-17(16(21)10-13)24(11-14-2-1-9-28-14)18(25)12-3-6-15(7-4-12)29(26,27)19(22)23/h1-10,19H,11H2.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide?
4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 443.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 60533915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).