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

C14H18N4O2S2 — CID 127045037

IUPAC4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)cs2)cc1
InChIInChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
InChIKeyIXYXFANXVSIQKW-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.52
Rot. Bonds4

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

4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 127045037) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID127045037
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)cs2)cc1
InChIInChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
InChIKeyIXYXFANXVSIQKW-UHFFFAOYSA-N
XLogP2.52
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 127045037) is 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(N3CCCCC3)cs2)cc1.
What is the InChIKey of 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is IXYXFANXVSIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20).
What are the key properties of 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 338.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 127045037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).