3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C21H27ClN2O3S — CID 119559372

IUPAC3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S.ClH/c24-21(23-13-11-17-7-5-12-22-15-17)19-8-4-6-18(14-19)16-27(25,26)20-9-2-1-3-10-20;/h1-4,6,8-10,14,17,22H,5,7,11-13,15-16H2,(H,23,24);1H
InChIKeyCCEYZPAWZIFFEJ-UHFFFAOYSA-N
MW422.98 g/mol
LogP3.20
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119559372) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119559372
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S.ClH/c24-21(23-13-11-17-7-5-12-22-15-17)19-8-4-6-18(14-19)16-27(25,26)20-9-2-1-3-10-20;/h1-4,6,8-10,14,17,22H,5,7,11-13,15-16H2,(H,23,24);1H
InChIKeyCCEYZPAWZIFFEJ-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide
CID 119559224
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119559372) is 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is CCEYZPAWZIFFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S.ClH/c24-21(23-13-11-17-7-5-12-22-15-17)19-8-4-6-18(14-19)16-27(25,26)20-9-2-1-3-10-20;/h1-4,6,8-10,14,17,22H,5,7,11-13,15-16H2,(H,23,24);1H.
What are the key properties of 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119559372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).