4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C15H15FN2O3S — CID 169371323

IUPAC4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H15FN2O3S/c1-10-3-6-12(7-4-10)22(20,21)18-14-9-11(15(19)17-2)5-8-13(14)16/h3-9,18H,1-2H3,(H,17,19)
InChIKeyLRNGQRLLEIJMLR-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.29
Rot. Bonds4

About 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 169371323) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID169371323
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H15FN2O3S/c1-10-3-6-12(7-4-10)22(20,21)18-14-9-11(15(19)17-2)5-8-13(14)16/h3-9,18H,1-2H3,(H,17,19)
InChIKeyLRNGQRLLEIJMLR-UHFFFAOYSA-N
XLogP2.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062615
[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]-methyl-oxoazanium
CID 159028628
3-fluoro-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373067
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 169371323) is 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is CNC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LRNGQRLLEIJMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-10-3-6-12(7-4-10)22(20,21)18-14-9-11(15(19)17-2)5-8-13(14)16/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 322.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 169371323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).