3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C16H14F3NO3S — CID 112838614

IUPAC3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO3S/c1-2-15(21)11-4-3-5-14(10-11)24(22,23)20-13-8-6-12(7-9-13)16(17,18)19/h3-10,20H,2H2,1H3
InChIKeyXMGXBAXTKNFQTA-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.10
Rot. Bonds5

About 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 112838614) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID112838614
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO3S/c1-2-15(21)11-4-3-5-14(10-11)24(22,23)20-13-8-6-12(7-9-13)16(17,18)19/h3-10,20H,2H2,1H3
InChIKeyXMGXBAXTKNFQTA-UHFFFAOYSA-N
XLogP4.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-propanoyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833970
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
3-[[4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]sulfamoyl]benzoic acid
CID 58937165
N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 143347423
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741

Frequently Asked Questions

What is the IUPAC name of 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 112838614) is 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is XMGXBAXTKNFQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-2-15(21)11-4-3-5-14(10-11)24(22,23)20-13-8-6-12(7-9-13)16(17,18)19/h3-10,20H,2H2,1H3.
What are the key properties of 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 357.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 112838614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).