N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide

C22H27FN2O3S — CID 7032363

IUPACN-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2F)cc1C
InChIInChI=1S/C22H27FN2O3S/c1-14-9-15(2)13-25(12-14)29(27,28)19-7-8-21(23)20(11-19)22(26)24-18-6-5-16(3)17(4)10-18/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26)/t14-,15-/m1/s1
InChIKeyJOFUTEKFQGGPKU-HUUCEWRRSA-N
MW418.53 g/mol
LogP4.36
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide

N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide (PubChem CID 7032363) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
PubChem CID7032363
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2F)cc1C
InChIInChI=1S/C22H27FN2O3S/c1-14-9-15(2)13-25(12-14)29(27,28)19-7-8-21(23)20(11-19)22(26)24-18-6-5-16(3)17(4)10-18/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26)/t14-,15-/m1/s1
InChIKeyJOFUTEKFQGGPKU-HUUCEWRRSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 9394724
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 4621994
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079490
1-[4-fluoro-3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 4524263
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786
N-(3-chloro-4-methylphenyl)-2-fluoro-5-(4-propylpiperazin-1-yl)sulfonylbenzamide
CID 23958804
N-(4-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4193185
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide (CID 7032363) is N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide?
The InChIKey is JOFUTEKFQGGPKU-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-14-9-15(2)13-25(12-14)29(27,28)19-7-8-21(23)20(11-19)22(26)24-18-6-5-16(3)17(4)10-18/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26)/t14-,15-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide?
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide has a molecular weight of 418.53 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide is sourced from PubChem (CID 7032363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).