N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide

C19H16FNO4S2 — CID 72717654

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1F
InChIInChI=1S/C19H16FNO4S2/c1-25-17-9-8-15(11-16(17)20)27(23,24)21-12-14-7-10-18(26-14)19(22)13-5-3-2-4-6-13/h2-11,21H,12H2,1H3
InChIKeyYLNAKNNMGDYFII-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.61
Rot. Bonds7

About N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 72717654) has the molecular formula C19H16FNO4S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID72717654
Molecular FormulaC19H16FNO4S2
Molecular Weight405.47 g/mol
Exact Mass405.05
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1F
InChIInChI=1S/C19H16FNO4S2/c1-25-17-9-8-15(11-16(17)20)27(23,24)21-12-14-7-10-18(26-14)19(22)13-5-3-2-4-6-13/h2-11,21H,12H2,1H3
InChIKeyYLNAKNNMGDYFII-UHFFFAOYSA-N
XLogP3.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 72717654) is N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1F.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is YLNAKNNMGDYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S2/c1-25-17-9-8-15(11-16(17)20)27(23,24)21-12-14-7-10-18(26-14)19(22)13-5-3-2-4-6-13/h2-11,21H,12H2,1H3.
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 72717654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).