N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C22H28N2O3S — CID 55918100

IUPACN-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cccc(N(C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1C
InChIInChI=1S/C22H28N2O3S/c1-16-9-7-13-21(18(16)3)23(4)22(25)19-11-8-12-20(15-19)28(26,27)24-14-6-5-10-17(24)2/h7-9,11-13,15,17H,5-6,10,14H2,1-4H3
InChIKeyDSWHTWRNPGLTEL-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.14
Rot. Bonds4

About N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55918100) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55918100
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cccc(N(C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1C
InChIInChI=1S/C22H28N2O3S/c1-16-9-7-13-21(18(16)3)23(4)22(25)19-11-8-12-20(15-19)28(26,27)24-14-6-5-10-17(24)2/h7-9,11-13,15,17H,5-6,10,14H2,1-4H3
InChIKeyDSWHTWRNPGLTEL-UHFFFAOYSA-N
XLogP4.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55918100) is N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cccc(N(C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is DSWHTWRNPGLTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-9-7-13-21(18(16)3)23(4)22(25)19-11-8-12-20(15-19)28(26,27)24-14-6-5-10-17(24)2/h7-9,11-13,15,17H,5-6,10,14H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55918100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).