5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide

C27H29FN2O3S — CID 5142544

IUPAC5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2F)c1C
InChIInChI=1S/C27H29FN2O3S/c1-19-7-6-10-26(20(19)2)29-27(31)24-18-23(11-12-25(24)28)34(32,33)30-15-13-22(14-16-30)17-21-8-4-3-5-9-21/h3-12,18,22H,13-17H2,1-2H3,(H,29,31)
InChIKeyIXWIZYGYQQJLNK-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.34
Rot. Bonds6

About 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide

5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide (PubChem CID 5142544) has the molecular formula C27H29FN2O3S and a molecular weight of 480.61 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide
PubChem CID5142544
Molecular FormulaC27H29FN2O3S
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2F)c1C
InChIInChI=1S/C27H29FN2O3S/c1-19-7-6-10-26(20(19)2)29-27(31)24-18-23(11-12-25(24)28)34(32,33)30-15-13-22(14-16-30)17-21-8-4-3-5-9-21/h3-12,18,22H,13-17H2,1-2H3,(H,29,31)
InChIKeyIXWIZYGYQQJLNK-UHFFFAOYSA-N
XLogP5.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidin-1-yl)sulfonyl-N-[4-(4-benzylpiperidin-1-yl)sulfonyl-2-hydroxyphenyl]-2,3-dihydroxybenzamide
CID 58626273
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
N-(2,6-diethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 4279992
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
2-(4-benzylpiperidin-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 44902552
2-chloro-N-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591320
3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 3436224
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 4068447
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide (CID 5142544) is 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2F)c1C.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is IXWIZYGYQQJLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3S/c1-19-7-6-10-26(20(19)2)29-27(31)24-18-23(11-12-25(24)28)34(32,33)30-15-13-22(14-16-30)17-21-8-4-3-5-9-21/h3-12,18,22H,13-17H2,1-2H3,(H,29,31).
What are the key properties of 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 480.61 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 5142544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).