4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide

C14H11F2NO4S — CID 78829368

IUPAC4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H11F2NO4S/c15-14(16)22(20,21)12-6-4-9(5-7-12)13(19)17-10-2-1-3-11(18)8-10/h1-8,14,18H,(H,17,19)
InChIKeyPESRWMKMVOSFTA-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.64
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide

4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide (PubChem CID 78829368) has the molecular formula C14H11F2NO4S and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
PubChem CID78829368
Molecular FormulaC14H11F2NO4S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC Name4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H11F2NO4S/c15-14(16)22(20,21)12-6-4-9(5-7-12)13(19)17-10-2-1-3-11(18)8-10/h1-8,14,18H,(H,17,19)
InChIKeyPESRWMKMVOSFTA-UHFFFAOYSA-N
XLogP2.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide
CID 8782088
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070782
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241
4-(difluoromethylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 18292955
4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide
CID 34074909
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700509

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide (CID 78829368) is 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide is O=C(Nc1cccc(O)c1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
The InChIKey is PESRWMKMVOSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4S/c15-14(16)22(20,21)12-6-4-9(5-7-12)13(19)17-10-2-1-3-11(18)8-10/h1-8,14,18H,(H,17,19).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide?
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide has a molecular weight of 327.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 78829368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).