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

C19H16FNO4S2 — CID 90613033

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H16FNO4S2/c1-25-16-9-7-14(20)11-18(16)27(23,24)21-12-15-8-10-17(26-15)19(22)13-5-3-2-4-6-13/h2-11,21H,12H2,1H3
InChIKeyLSDWGWNLGPGQSO-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.61
Rot. Bonds7

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

N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 90613033) has the molecular formula C19H16FNO4S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID90613033
Molecular FormulaC19H16FNO4S2
Molecular Weight405.47 g/mol
Exact Mass405.05
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H16FNO4S2/c1-25-16-9-7-14(20)11-18(16)27(23,24)21-12-15-8-10-17(26-15)19(22)13-5-3-2-4-6-13/h2-11,21H,12H2,1H3
InChIKeyLSDWGWNLGPGQSO-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]-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide (CID 90613033) is N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is LSDWGWNLGPGQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S2/c1-25-16-9-7-14(20)11-18(16)27(23,24)21-12-15-8-10-17(26-15)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]-5-fluoro-2-methoxybenzenesulfonamide?
N-[(5-benzoylthiophen-2-yl)methyl]-5-fluoro-2-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]-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90613033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).