4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride

C20H26ClN3O3S — CID 119386321

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCNCC3)cc2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-3-4-15(2)19(13-14)27(25,26)23-18-7-5-16(6-8-18)20(24)22-17-9-11-21-12-10-17;/h3-8,13,17,21,23H,9-12H2,1-2H3,(H,22,24);1H
InChIKeyDZUJBTBQDBJHFF-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.01
Rot. Bonds5

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride

4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119386321) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119386321
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCNCC3)cc2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-3-4-15(2)19(13-14)27(25,26)23-18-7-5-16(6-8-18)20(24)22-17-9-11-21-12-10-17;/h3-8,13,17,21,23H,9-12H2,1-2H3,(H,22,24);1H
InChIKeyDZUJBTBQDBJHFF-UHFFFAOYSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979
3-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-3-ylbenzamide
CID 119428239
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4316019
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 24530569
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389715

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride (CID 119386321) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCNCC3)cc2)c1.Cl.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is DZUJBTBQDBJHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-14-3-4-15(2)19(13-14)27(25,26)23-18-7-5-16(6-8-18)20(24)22-17-9-11-21-12-10-17;/h3-8,13,17,21,23H,9-12H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119386321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).