N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

C19H14F3NO3S2 — CID 72717659

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C19H14F3NO3S2/c20-19(21,22)14-6-9-16(10-7-14)28(25,26)23-12-15-8-11-17(27-15)18(24)13-4-2-1-3-5-13/h1-11,23H,12H2
InChIKeyFZICSIYYGRAOKK-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.48
Rot. Bonds6

About N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 72717659) has the molecular formula C19H14F3NO3S2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID72717659
Molecular FormulaC19H14F3NO3S2
Molecular Weight425.45 g/mol
Exact Mass425.04
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C19H14F3NO3S2/c20-19(21,22)14-6-9-16(10-7-14)28(25,26)23-12-15-8-11-17(27-15)18(24)13-4-2-1-3-5-13/h1-11,23H,12H2
InChIKeyFZICSIYYGRAOKK-UHFFFAOYSA-N
XLogP4.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 25023815
CID 25023815
CID 45265147
CID 45265147
CID 56670204
CID 56670204
CID 3682893
CID 3682893
CID 60168699
CID 60168699
CID 27305818
CID 27305818
CID 72717612
CID 72717612
CID 145952659
CID 145952659
CID 14639074
CID 14639074
CID 72719573
CID 72719573
CID 72717647
CID 72717647
CID 72717653
CID 72717653

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 72717659) is N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is O=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FZICSIYYGRAOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3S2/c20-19(21,22)14-6-9-16(10-7-14)28(25,26)23-12-15-8-11-17(27-15)18(24)13-4-2-1-3-5-13/h1-11,23H,12H2.
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 425.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 72717659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).