1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C22H26N2O3S — CID 3192979

IUPAC1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3S/c25-22(23-21-12-6-8-17-7-4-5-11-20(17)21)18-13-15-24(16-14-18)28(26,27)19-9-2-1-3-10-19/h1-5,7,9-11,18,21H,6,8,12-16H2,(H,23,25)
InChIKeyPXXFWZWLROKWEC-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.28
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 3192979) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID3192979
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3S/c25-22(23-21-12-6-8-17-7-4-5-11-20(17)21)18-13-15-24(16-14-18)28(26,27)19-9-2-1-3-10-19/h1-5,7,9-11,18,21H,6,8,12-16H2,(H,23,25)
InChIKeyPXXFWZWLROKWEC-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 3192979) is 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is PXXFWZWLROKWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(23-21-12-6-8-17-7-4-5-11-20(17)21)18-13-15-24(16-14-18)28(26,27)19-9-2-1-3-10-19/h1-5,7,9-11,18,21H,6,8,12-16H2,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3192979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).