N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide

C20H24N2O3S — CID 2710141

IUPACN-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-12-16(2)14-18(13-15)21-20(23)17-6-8-19(9-7-17)26(24,25)22-10-4-3-5-11-22/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyWDLKFRLAKRFRLQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.73
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2710141) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2710141
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-12-16(2)14-18(13-15)21-20(23)17-6-8-19(9-7-17)26(24,25)22-10-4-3-5-11-22/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyWDLKFRLAKRFRLQ-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2683305
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 4001092
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 2710141) is N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide is Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WDLKFRLAKRFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-12-16(2)14-18(13-15)21-20(23)17-6-8-19(9-7-17)26(24,25)22-10-4-3-5-11-22/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2710141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).