N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C19H23N3O3S — CID 120569015

IUPACN-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(N)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-8-9-16(20)13-18(14)21-19(23)15-6-5-7-17(12-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23)
InChIKeyHLSKDUWGHXIZGD-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.00
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 120569015) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID120569015
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(N)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-8-9-16(20)13-18(14)21-19(23)15-6-5-7-17(12-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23)
InChIKeyHLSKDUWGHXIZGD-UHFFFAOYSA-N
XLogP3.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.00
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

N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 60597425
N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 120568619

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 120569015) is N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(N)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HLSKDUWGHXIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-8-9-16(20)13-18(14)21-19(23)15-6-5-7-17(12-15)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23).
What are the key properties of N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 3.00, 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)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 120569015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).