N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H23FN2O3S — CID 26239772

IUPACN-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-14-9-11-23(12-10-14)27(25,26)18-6-3-16(4-7-18)20(24)22-19-8-5-17(21)13-15(19)2/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyRHGIUVVRBWROIH-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.81
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 26239772) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID26239772
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-14-9-11-23(12-10-14)27(25,26)18-6-3-16(4-7-18)20(24)22-19-8-5-17(21)13-15(19)2/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)
InChIKeyRHGIUVVRBWROIH-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961549
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961547
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961551
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26115158
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4810789
N-(2,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 7788396
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 26239772) is N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is RHGIUVVRBWROIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-9-11-23(12-10-14)27(25,26)18-6-3-16(4-7-18)20(24)22-19-8-5-17(21)13-15(19)2/h3-8,13-14H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 390.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 26239772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).