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

C17H23N3O2S2 — CID 90597507

IUPAC4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O2S2/c1-13(2)14-3-5-16(6-4-14)24(21,22)19-15-7-10-20(11-8-15)17-18-9-12-23-17/h3-6,9,12-13,15,19H,7-8,10-11H2,1-2H3
InChIKeyWNXGRJDGVSJKKO-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.21
Rot. Bonds5

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

4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (PubChem CID 90597507) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
PubChem CID90597507
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O2S2/c1-13(2)14-3-5-16(6-4-14)24(21,22)19-15-7-10-20(11-8-15)17-18-9-12-23-17/h3-6,9,12-13,15,19H,7-8,10-11H2,1-2H3
InChIKeyWNXGRJDGVSJKKO-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
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
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597489
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597536
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (CID 90597507) is 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is WNXGRJDGVSJKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-13(2)14-3-5-16(6-4-14)24(21,22)19-15-7-10-20(11-8-15)17-18-9-12-23-17/h3-6,9,12-13,15,19H,7-8,10-11H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90597507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).