N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H15Cl2N3O3S3 — CID 16830556

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H15Cl2N3O3S3/c18-11-3-4-12-15(14(11)19)20-17(27-12)21-16(23)10-5-7-22(8-6-10)28(24,25)13-2-1-9-26-13/h1-4,9-10H,5-8H2,(H,20,21,23)
InChIKeyFZVCPEFAKVEHOH-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.70
Rot. Bonds4

About N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 16830556) has the molecular formula C17H15Cl2N3O3S3 and a molecular weight of 476.43 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID16830556
Molecular FormulaC17H15Cl2N3O3S3
Molecular Weight476.43 g/mol
Exact Mass474.97
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H15Cl2N3O3S3/c18-11-3-4-12-15(14(11)19)20-17(27-12)21-16(23)10-5-7-22(8-6-10)28(24,25)13-2-1-9-26-13/h1-4,9-10H,5-8H2,(H,20,21,23)
InChIKeyFZVCPEFAKVEHOH-UHFFFAOYSA-N
XLogP4.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830554
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828358
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830561
N-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3242369
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830572
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2532699
N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934134
N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 41397830
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829241
N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826190
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 16830556) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is FZVCPEFAKVEHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3S3/c18-11-3-4-12-15(14(11)19)20-17(27-12)21-16(23)10-5-7-22(8-6-10)28(24,25)13-2-1-9-26-13/h1-4,9-10H,5-8H2,(H,20,21,23).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 476.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16830556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).