N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride

C20H26ClN3O3S — CID 120568671

IUPACN-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-7-9-17(27(25,26)23-10-4-3-5-11-23)13-18(14)20(24)22-19-12-16(21)8-6-15(19)2;/h6-9,12-13H,3-5,10-11,21H2,1-2H3,(H,22,24);1H
InChIKeyYRRAGZONJZYFRV-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.73
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride

N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 120568671) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID120568671
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-7-9-17(27(25,26)23-10-4-3-5-11-23)13-18(14)20(24)22-19-12-16(21)8-6-15(19)2;/h6-9,12-13H,3-5,10-11,21H2,1-2H3,(H,22,24);1H
InChIKeyYRRAGZONJZYFRV-UHFFFAOYSA-N
XLogP3.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 56570635
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride (CID 120568671) is N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride is Cc1ccc(N)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is YRRAGZONJZYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-14-7-9-17(27(25,26)23-10-4-3-5-11-23)13-18(14)20(24)22-19-12-16(21)8-6-15(19)2;/h6-9,12-13H,3-5,10-11,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride?
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120568671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).