2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

C18H17ClN2O2S2 — CID 1430712

IUPAC2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H17ClN2O2S2/c19-14-4-3-5-15(12-14)25(22,23)21-10-8-13(9-11-21)18-20-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2
InChIKeyLISAZRFTTDNSSC-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.52
Rot. Bonds3

About 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole (PubChem CID 1430712) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
PubChem CID1430712
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H17ClN2O2S2/c19-14-4-3-5-15(12-14)25(22,23)21-10-8-13(9-11-21)18-20-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2
InChIKeyLISAZRFTTDNSSC-UHFFFAOYSA-N
XLogP4.52
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 1436870
2-[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 26943990
2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 3223487
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 55456465
2-[1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 3223527
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cyclopropylbenzenesulfonamide
CID 1436857
N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]methanesulfonamide
CID 100829547
1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146022867
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 17496411
1-[5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26528760
2-[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 35306084

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole (CID 1430712) is 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole is O=S(=O)(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
The InChIKey is LISAZRFTTDNSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c19-14-4-3-5-15(12-14)25(22,23)21-10-8-13(9-11-21)18-20-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2.
What are the key properties of 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole has a molecular weight of 392.93 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 1430712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).