3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide

C20H25N3O3S — CID 119428239

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC3CCCNC3)c2)c1
InChIInChI=1S/C20H25N3O3S/c1-14-8-9-15(2)19(11-14)27(25,26)23-17-6-3-5-16(12-17)20(24)22-18-7-4-10-21-13-18/h3,5-6,8-9,11-12,18,21,23H,4,7,10,13H2,1-2H3,(H,22,24)
InChIKeyOWXABPDKSYOZOK-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.59
Rot. Bonds5

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide (PubChem CID 119428239) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
PubChem CID119428239
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC3CCCNC3)c2)c1
InChIInChI=1S/C20H25N3O3S/c1-14-8-9-15(2)19(11-14)27(25,26)23-17-6-3-5-16(12-17)20(24)22-18-7-4-10-21-13-18/h3,5-6,8-9,11-12,18,21,23H,4,7,10,13H2,1-2H3,(H,22,24)
InChIKeyOWXABPDKSYOZOK-UHFFFAOYSA-N
XLogP2.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427476
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386321
3-[[3-(cyclopropylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 22109123
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4316019
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide (CID 119428239) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC3CCCNC3)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide?
The InChIKey is OWXABPDKSYOZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-8-9-15(2)19(11-14)27(25,26)23-17-6-3-5-16(12-17)20(24)22-18-7-4-10-21-13-18/h3,5-6,8-9,11-12,18,21,23H,4,7,10,13H2,1-2H3,(H,22,24).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119428239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).