1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide

C18H24N4O3S2 — CID 2328743

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C18H24N4O3S2/c23-18(19-14-5-2-1-3-6-14)13-9-11-22(12-10-13)27(24,25)16-8-4-7-15-17(16)21-26-20-15/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,19,23)
InChIKeyJYQXVMQOQOEKOQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.54
Rot. Bonds4

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 2328743) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide
PubChem CID2328743
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C18H24N4O3S2/c23-18(19-14-5-2-1-3-6-14)13-9-11-22(12-10-13)27(24,25)16-8-4-7-15-17(16)21-26-20-15/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,19,23)
InChIKeyJYQXVMQOQOEKOQ-UHFFFAOYSA-N
XLogP2.54
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.54
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-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide (CID 2328743) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is JYQXVMQOQOEKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c23-18(19-14-5-2-1-3-6-14)13-9-11-22(12-10-13)27(24,25)16-8-4-7-15-17(16)21-26-20-15/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,19,23).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 2328743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).