1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

C19H19ClN4O4S — CID 15989383

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C19H19ClN4O4S/c20-15-6-4-13(5-7-15)12-21-19(25)14-8-10-24(11-9-14)29(26,27)17-3-1-2-16-18(17)23-28-22-16/h1-7,14H,8-12H2,(H,21,25)
InChIKeyKLQNTWRUWYFNAU-UHFFFAOYSA-N
MW434.91 g/mol
LogP2.59
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 15989383) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID15989383
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C19H19ClN4O4S/c20-15-6-4-13(5-7-15)12-21-19(25)14-8-10-24(11-9-14)29(26,27)17-3-1-2-16-18(17)23-28-22-16/h1-7,14H,8-12H2,(H,21,25)
InChIKeyKLQNTWRUWYFNAU-UHFFFAOYSA-N
XLogP2.59
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (CID 15989383) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KLQNTWRUWYFNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c20-15-6-4-13(5-7-15)12-21-19(25)14-8-10-24(11-9-14)29(26,27)17-3-1-2-16-18(17)23-28-22-16/h1-7,14H,8-12H2,(H,21,25).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 15989383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).