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

C15H14FNO4S — CID 33283391

IUPACN-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H14FNO4S/c1-21-13-9-10(16)7-8-12(13)17-15(18)11-5-3-4-6-14(11)22(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyVLNWPUXMXKUVQK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.49
Rot. Bonds4

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

N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide (PubChem CID 33283391) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
PubChem CID33283391
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H14FNO4S/c1-21-13-9-10(16)7-8-12(13)17-15(18)11-5-3-4-6-14(11)22(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyVLNWPUXMXKUVQK-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

N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide
CID 86982656
N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
CID 7565548
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 115930471
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
CID 18082595
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
CID 7267049
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
N-[2-[cyclopropyl(methylsulfonyl)amino]-5-fluorophenyl]-2-methoxybenzamide
CID 113093265

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide (CID 33283391) is N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide is COc1cc(F)ccc1NC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide?
The InChIKey is VLNWPUXMXKUVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-13-9-10(16)7-8-12(13)17-15(18)11-5-3-4-6-14(11)22(2,19)20/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide?
N-(4-fluoro-2-methoxyphenyl)-2-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)-2-methylsulfonylbenzamide is sourced from PubChem (CID 33283391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).