3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide

C16H17FN2O4S — CID 39975934

IUPAC3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H17FN2O4S/c1-10-4-5-11(8-13(10)17)16(20)18-12-6-7-15(23-2)14(9-12)19-24(3,21)22/h4-9,19H,1-3H3,(H,18,20)
InChIKeyUZMOLEFMNNTBNB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.77
Rot. Bonds5

About 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide

3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide (PubChem CID 39975934) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
PubChem CID39975934
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H17FN2O4S/c1-10-4-5-11(8-13(10)17)16(20)18-12-6-7-15(23-2)14(9-12)19-24(3,21)22/h4-9,19H,1-3H3,(H,18,20)
InChIKeyUZMOLEFMNNTBNB-UHFFFAOYSA-N
XLogP2.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75369016
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide (CID 39975934) is 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide?
The InChIKey is UZMOLEFMNNTBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-10-4-5-11(8-13(10)17)16(20)18-12-6-7-15(23-2)14(9-12)19-24(3,21)22/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide?
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 39975934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).