6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

C18H15ClN4O4S2 — CID 108783263

IUPAC6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nc5ccc(Cl)cc5s4)CC3)cc2o1
InChIInChI=1S/C18H15ClN4O4S2/c19-11-1-3-14-16(9-11)28-17(20-14)22-5-7-23(8-6-22)29(25,26)12-2-4-13-15(10-12)27-18(24)21-13/h1-4,9-10H,5-8H2,(H,21,24)
InChIKeyALTYJEJFNSPBOI-UHFFFAOYSA-N
MW450.93 g/mol
LogP2.90
Rot. Bonds3

About 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (PubChem CID 108783263) has the molecular formula C18H15ClN4O4S2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
PubChem CID108783263
Molecular FormulaC18H15ClN4O4S2
Molecular Weight450.93 g/mol
Exact Mass450.02
IUPAC Name6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nc5ccc(Cl)cc5s4)CC3)cc2o1
InChIInChI=1S/C18H15ClN4O4S2/c19-11-1-3-14-16(9-11)28-17(20-14)22-5-7-23(8-6-22)29(25,26)12-2-4-13-15(10-12)27-18(24)21-13/h1-4,9-10H,5-8H2,(H,21,24)
InChIKeyALTYJEJFNSPBOI-UHFFFAOYSA-N
XLogP2.90
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16937573
N-[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108783259
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361418
6-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 108782939
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41115268
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 43981699
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 41115377
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole
CID 16938235

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one (CID 108783263) is 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nc5ccc(Cl)cc5s4)CC3)cc2o1.
What is the InChIKey of 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
The InChIKey is ALTYJEJFNSPBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4S2/c19-11-1-3-14-16(9-11)28-17(20-14)22-5-7-23(8-6-22)29(25,26)12-2-4-13-15(10-12)27-18(24)21-13/h1-4,9-10H,5-8H2,(H,21,24).
What are the key properties of 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one?
6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one has a molecular weight of 450.93 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 108783263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).