2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide

C18H14FNO4S2 — CID 174855929

IUPAC2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide
SMILESCOc1ccccc1S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C18H14FNO4S2/c1-24-14-8-4-5-9-15(14)26(22,23)17-11-10-16(25-17)20-18(21)12-6-2-3-7-13(12)19/h2-11H,1H3,(H,20,21)
InChIKeyWZPNFHRUANWBEK-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.98
Rot. Bonds5

About 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide

2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide (PubChem CID 174855929) has the molecular formula C18H14FNO4S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide
PubChem CID174855929
Molecular FormulaC18H14FNO4S2
Molecular Weight391.45 g/mol
Exact Mass391.03
IUPAC Name2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide
SMILESCOc1ccccc1S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C18H14FNO4S2/c1-24-14-8-4-5-9-15(14)26(22,23)17-11-10-16(25-17)20-18(21)12-6-2-3-7-13(12)19/h2-11H,1H3,(H,20,21)
InChIKeyWZPNFHRUANWBEK-UHFFFAOYSA-N
XLogP3.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[cyclopropyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide
CID 174855973
N-[5-[cyanomethyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide
CID 174855610
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 1395648
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide (CID 174855929) is 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide is COc1ccccc1S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide?
The InChIKey is WZPNFHRUANWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S2/c1-24-14-8-4-5-9-15(14)26(22,23)17-11-10-16(25-17)20-18(21)12-6-2-3-7-13(12)19/h2-11H,1H3,(H,20,21).
What are the key properties of 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide?
2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(2-methoxyphenyl)sulfonylthiophen-2-yl]benzamide is sourced from PubChem (CID 174855929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).