N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide

C15H14FNO4S — CID 32608747

IUPACN-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-14-9-11(16)5-8-13(14)17-15(18)10-3-6-12(7-4-10)22(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyQROZHCNUIQPHJV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.49
Rot. Bonds4

About N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide

N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide (PubChem CID 32608747) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
PubChem CID32608747
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-14-9-11(16)5-8-13(14)17-15(18)10-3-6-12(7-4-10)22(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyQROZHCNUIQPHJV-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 43981188

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide (CID 32608747) is N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide is COc1cc(F)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide?
The InChIKey is QROZHCNUIQPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-14-9-11(16)5-8-13(14)17-15(18)10-3-6-12(7-4-10)22(2,19)20/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide?
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide has a molecular weight of 323.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 32608747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).