N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride

C21H26ClN3O3S — CID 119458614

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C21H25N3O3S.ClH/c1-14-4-2-3-5-20(14)24-28(26,27)19-10-6-15(7-11-19)21(25)23-18-12-16-8-9-17(13-18)22-16;/h2-7,10-11,16-18,22,24H,8-9,12-13H2,1H3,(H,23,25);1H
InChIKeyAPIBTHNEXQQOEO-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.23
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119458614) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119458614
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C21H25N3O3S.ClH/c1-14-4-2-3-5-20(14)24-28(26,27)19-10-6-15(7-11-19)21(25)23-18-12-16-8-9-17(13-18)22-16;/h2-7,10-11,16-18,22,24H,8-9,12-13H2,1H3,(H,23,25);1H
InChIKeyAPIBTHNEXQQOEO-UHFFFAOYSA-N
XLogP3.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388218
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426827
N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 17467750
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
4-[(2-bromophenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058368
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119458614) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is APIBTHNEXQQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S.ClH/c1-14-4-2-3-5-20(14)24-28(26,27)19-10-6-15(7-11-19)21(25)23-18-12-16-8-9-17(13-18)22-16;/h2-7,10-11,16-18,22,24H,8-9,12-13H2,1H3,(H,23,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 435.98 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119458614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).