N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide

C20H15F2NO3S — CID 134581210

IUPACN-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide
SMILESO=C(NCS(=O)(=O)c1ccccc1)c1c(F)ccc(-c2ccccc2)c1F
InChIInChI=1S/C20H15F2NO3S/c21-17-12-11-16(14-7-3-1-4-8-14)19(22)18(17)20(24)23-13-27(25,26)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)
InChIKeyGJBVXLVNFUYUGB-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.79
Rot. Bonds5

About N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide

N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide (PubChem CID 134581210) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide.

Molecular Properties

Compound NameN-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide
PubChem CID134581210
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC NameN-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide
SMILESO=C(NCS(=O)(=O)c1ccccc1)c1c(F)ccc(-c2ccccc2)c1F
InChIInChI=1S/C20H15F2NO3S/c21-17-12-11-16(14-7-3-1-4-8-14)19(22)18(17)20(24)23-13-27(25,26)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)
InChIKeyGJBVXLVNFUYUGB-UHFFFAOYSA-N
XLogP3.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
CID 67628523
N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide
CID 157028404
N'-(benzenesulfonyl)-2-fluoro-6-phenylbenzohydrazide
CID 134581170
N-ethyl-2-fluoro-3-phenylbenzamide
CID 67472653
6-fluoro-2-methyl-N'-naphthalen-2-ylsulfonyl-3-phenylbenzohydrazide
CID 134581276
6-fluoro-2-methyl-3-phenyl-N'-propan-2-ylsulfonylbenzohydrazide
CID 134581392
1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
CID 75442202
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869
N-[2-(benzenesulfonyl)ethyl]-2-bromo-5-chlorobenzamide
CID 78902463
2,6-diamino-N-(benzenesulfonylmethyl)hexanamide
CID 18957410
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide?
The IUPAC name of N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide (CID 134581210) is N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide.
What is the SMILES notation for N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide?
The canonical SMILES for N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide is O=C(NCS(=O)(=O)c1ccccc1)c1c(F)ccc(-c2ccccc2)c1F.
What is the InChIKey of N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide?
The InChIKey is GJBVXLVNFUYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c21-17-12-11-16(14-7-3-1-4-8-14)19(22)18(17)20(24)23-13-27(25,26)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24).
What are the key properties of N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide?
N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide has a molecular weight of 387.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonylmethyl)-2,6-difluoro-3-phenylbenzamide is sourced from PubChem (CID 134581210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).