1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C20H20ClN3O3S2 — CID 16804447

IUPAC1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc2c1
InChIInChI=1S/C20H20ClN3O3S2/c1-13-2-7-17-18(12-13)28-20(22-17)23-19(25)14-8-10-24(11-9-14)29(26,27)16-5-3-15(21)4-6-16/h2-7,12,14H,8-11H2,1H3,(H,22,23,25)
InChIKeyHYMHZAWQINSCBD-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 16804447) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID16804447
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc2c1
InChIInChI=1S/C20H20ClN3O3S2/c1-13-2-7-17-18(12-13)28-20(22-17)23-19(25)14-8-10-24(11-9-14)29(26,27)16-5-3-15(21)4-6-16/h2-7,12,14H,8-11H2,1H3,(H,22,23,25)
InChIKeyHYMHZAWQINSCBD-UHFFFAOYSA-N
XLogP4.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 16804447) is 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc2c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is HYMHZAWQINSCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-13-2-7-17-18(12-13)28-20(22-17)23-19(25)14-8-10-24(11-9-14)29(26,27)16-5-3-15(21)4-6-16/h2-7,12,14H,8-11H2,1H3,(H,22,23,25).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 449.99 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 16804447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).