N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

C14H10F3NO3S — CID 58602789

IUPACN-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyDPKLPTNEXSNYOB-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.23
Rot. Bonds3

About N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (PubChem CID 58602789) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(trifluoromethylsulfonyl)phenyl]benzamide
PubChem CID58602789
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC NameN-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyDPKLPTNEXSNYOB-UHFFFAOYSA-N
XLogP3.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[3-(2-chloroethenylsulfonyl)phenyl]benzamide
CID 71329789
N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
CID 35743719
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
2-sulfanyl-N-[3-(trifluoromethylsulfonyl)phenyl]propanamide
CID 163591914
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide
CID 166636313
barium(2+);bis(3-(phenylcarbamoyl)benzenesulfonate);hydrate
CID 2749173
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
3-(benzenesulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 171989498
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (CID 58602789) is N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is DPKLPTNEXSNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19).
What are the key properties of N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide has a molecular weight of 329.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 58602789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).