4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole

C18H18N2O2S2 — CID 141186190

IUPAC4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1-c1cccc2scnc12)N1CCCCC1
InChIInChI=1S/C18H18N2O2S2/c21-24(22,20-11-4-1-5-12-20)17-10-3-2-7-14(17)15-8-6-9-16-18(15)19-13-23-16/h2-3,6-10,13H,1,4-5,11-12H2
InChIKeyCILLKDQHFOIPNO-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.14
Rot. Bonds3

About 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole

4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole (PubChem CID 141186190) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
PubChem CID141186190
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1-c1cccc2scnc12)N1CCCCC1
InChIInChI=1S/C18H18N2O2S2/c21-24(22,20-11-4-1-5-12-20)17-10-3-2-7-14(17)15-8-6-9-16-18(15)19-13-23-16/h2-3,6-10,13H,1,4-5,11-12H2
InChIKeyCILLKDQHFOIPNO-UHFFFAOYSA-N
XLogP4.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 51112991
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CID 768759
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1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169332423
1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
CID 20754489
4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
CID 14291708
5-(azetidin-1-ylsulfonyl)quinoxaline
CID 173009481
4-(2-phenylphenyl)sulfonyl-1,4-thiazepane
CID 51116230
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide
CID 124741959
1-(benzenesulfonyl)-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 166194214
5-[2-fluoro-4-(2-piperidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine
CID 90312983

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole?
The IUPAC name of 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole (CID 141186190) is 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole?
The canonical SMILES for 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole is O=S(=O)(c1ccccc1-c1cccc2scnc12)N1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole?
The InChIKey is CILLKDQHFOIPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c21-24(22,20-11-4-1-5-12-20)17-10-3-2-7-14(17)15-8-6-9-16-18(15)19-13-23-16/h2-3,6-10,13H,1,4-5,11-12H2.
What are the key properties of 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole?
4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole has a molecular weight of 358.49 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 141186190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).