1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

C19H21ClN2O3S — CID 1083743

IUPAC1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c20-17-8-6-15(7-9-17)14-21-19(23)16-10-12-22(13-11-16)26(24,25)18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)
InChIKeyXBYIURBZCISFOJ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.06
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 1083743) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID1083743
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c20-17-8-6-15(7-9-17)14-21-19(23)16-10-12-22(13-11-16)26(24,25)18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)
InChIKeyXBYIURBZCISFOJ-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (CID 1083743) is 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XBYIURBZCISFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-17-8-6-15(7-9-17)14-21-19(23)16-10-12-22(13-11-16)26(24,25)18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1083743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).