4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide

C17H17N3O3S3 — CID 134061805

IUPAC4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1
InChIInChI=1S/C17H17N3O3S3/c18-26(22,23)15-9-12(10-24-15)17(21)20-7-5-11(6-8-20)16-19-13-3-1-2-4-14(13)25-16/h1-4,9-11H,5-8H2,(H2,18,22,23)
InChIKeySBCDSEXZJVMMEO-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide

4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide (PubChem CID 134061805) has the molecular formula C17H17N3O3S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
PubChem CID134061805
Molecular FormulaC17H17N3O3S3
Molecular Weight407.54 g/mol
Exact Mass407.04
IUPAC Name4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1
InChIInChI=1S/C17H17N3O3S3/c18-26(22,23)15-9-12(10-24-15)17(21)20-7-5-11(6-8-20)16-19-13-3-1-2-4-14(13)25-16/h1-4,9-11H,5-8H2,(H2,18,22,23)
InChIKeySBCDSEXZJVMMEO-UHFFFAOYSA-N
XLogP3.03
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9218663
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-iodophenyl)methanone
CID 25485731
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone
CID 8751869
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 120639839
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9218722
3H-benzimidazol-5-yl-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 21007825
4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 27869090
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 21007826
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 27782534
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone
CID 16857485

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide (CID 134061805) is 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1.
What is the InChIKey of 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The InChIKey is SBCDSEXZJVMMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S3/c18-26(22,23)15-9-12(10-24-15)17(21)20-7-5-11(6-8-20)16-19-13-3-1-2-4-14(13)25-16/h1-4,9-11H,5-8H2,(H2,18,22,23).
What are the key properties of 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide is sourced from PubChem (CID 134061805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).