1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide

C22H24ClN3O3S2 — CID 16861967

IUPAC1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
SMILESCc1ccc2s/c(=N\C(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n(C)c2c1C
InChIInChI=1S/C22H24ClN3O3S2/c1-14-6-11-19-20(15(14)2)25(3)22(30-19)24-21(27)16-5-4-12-26(13-16)31(28,29)18-9-7-17(23)8-10-18/h6-11,16H,4-5,12-13H2,1-3H3/b24-22-
InChIKeyNJXALNJCTNJHIX-GYHWCHFESA-N
MW478.04 g/mol
LogP4.04
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide (PubChem CID 16861967) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
PubChem CID16861967
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
SMILESCc1ccc2s/c(=N\C(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n(C)c2c1C
InChIInChI=1S/C22H24ClN3O3S2/c1-14-6-11-19-20(15(14)2)25(3)22(30-19)24-21(27)16-5-4-12-26(13-16)31(28,29)18-9-7-17(23)8-10-18/h6-11,16H,4-5,12-13H2,1-3H3/b24-22-
InChIKeyNJXALNJCTNJHIX-GYHWCHFESA-N
XLogP4.04
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16863086
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide
CID 16924738
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863067
N-(4,5-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16861986
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16861944
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 5112536
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924745
ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16861913
1-(4-chlorophenyl)sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16861904
1-(4-fluorophenyl)sulfonyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16861616
1-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16861910
1-(benzenesulfonyl)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16862347

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide (CID 16861967) is 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide is Cc1ccc2s/c(=N\C(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n(C)c2c1C.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide?
The InChIKey is NJXALNJCTNJHIX-GYHWCHFESA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-14-6-11-19-20(15(14)2)25(3)22(30-19)24-21(27)16-5-4-12-26(13-16)31(28,29)18-9-7-17(23)8-10-18/h6-11,16H,4-5,12-13H2,1-3H3/b24-22-.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide has a molecular weight of 478.04 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide is sourced from PubChem (CID 16861967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).