3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide

C15H19N3O3S2 — CID 90597489

IUPAC3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H19N3O3S2/c1-21-13-3-2-4-14(11-13)23(19,20)17-12-5-8-18(9-6-12)15-16-7-10-22-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3
InChIKeyQICRRHPQYLKXKT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.10
Rot. Bonds5

About 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide

3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (PubChem CID 90597489) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
PubChem CID90597489
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H19N3O3S2/c1-21-13-3-2-4-14(11-13)23(19,20)17-12-5-8-18(9-6-12)15-16-7-10-22-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3
InChIKeyQICRRHPQYLKXKT-UHFFFAOYSA-N
XLogP2.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498
4-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597570
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597529
2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597556
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597536
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
3-methoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142907
3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide
CID 121144936

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (CID 90597489) is 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is COc1cccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is QICRRHPQYLKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-21-13-3-2-4-14(11-13)23(19,20)17-12-5-8-18(9-6-12)15-16-7-10-22-15/h2-4,7,10-12,17H,5-6,8-9H2,1H3.
What are the key properties of 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90597489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).