4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide

C20H20ClN3O3S2 — CID 110162762

IUPAC4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(N4CCCCC4)c3)sc2c1
InChIInChI=1S/C20H20ClN3O3S2/c1-29(26,27)14-6-8-16-18(12-14)28-20(22-16)23-19(25)13-5-7-15(21)17(11-13)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23,25)
InChIKeyZGIIWXJZBOABHQ-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.60
Rot. Bonds4

About 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide

4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide (PubChem CID 110162762) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide
PubChem CID110162762
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC Name4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(N4CCCCC4)c3)sc2c1
InChIInChI=1S/C20H20ClN3O3S2/c1-29(26,27)14-6-8-16-18(12-14)28-20(22-16)23-19(25)13-5-7-15(21)17(11-13)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23,25)
InChIKeyZGIIWXJZBOABHQ-UHFFFAOYSA-N
XLogP4.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2334654
3,4-dimethyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4245592
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3671432
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
CID 55573922
4-iodo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4572291
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2553186
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 59632158
3-(azepan-1-ylsulfonyl)-4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 16548125
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 1265057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide?
The IUPAC name of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide (CID 110162762) is 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide?
The canonical SMILES for 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(N4CCCCC4)c3)sc2c1.
What is the InChIKey of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide?
The InChIKey is ZGIIWXJZBOABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-29(26,27)14-6-8-16-18(12-14)28-20(22-16)23-19(25)13-5-7-15(21)17(11-13)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,23,25).
What are the key properties of 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide?
4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide has a molecular weight of 449.99 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 110162762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).