2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O3S — CID 26534993

IUPAC2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c21-19-10-9-17(27(25,26)23-13-5-2-6-14-23)15-18(19)20(24)22-12-11-16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,22,24)
InChIKeyUADQYFNHIFLBHA-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.49
Rot. Bonds6

About 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 26534993) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID26534993
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c21-19-10-9-17(27(25,26)23-13-5-2-6-14-23)15-18(19)20(24)22-12-11-16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,22,24)
InChIKeyUADQYFNHIFLBHA-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-N-[2-(4-fluorophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4002004
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
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5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
2-phenylethyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 1124170

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide (CID 26534993) is 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UADQYFNHIFLBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-19-10-9-17(27(25,26)23-13-5-2-6-14-23)15-18(19)20(24)22-12-11-16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,22,24).
What are the key properties of 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26534993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).