2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

C15H15Cl3N4O2S — CID 55905584

IUPAC2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N4O2S/c16-10-8-12(17)14(13(18)9-10)25(23,24)21-11-2-6-22(7-3-11)15-19-4-1-5-20-15/h1,4-5,8-9,11,21H,2-3,6-7H2
InChIKeySISRIWIDBYPYHT-UHFFFAOYSA-N
MW421.74 g/mol
LogP3.38
Rot. Bonds4

About 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 55905584) has the molecular formula C15H15Cl3N4O2S and a molecular weight of 421.74 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID55905584
Molecular FormulaC15H15Cl3N4O2S
Molecular Weight421.74 g/mol
Exact Mass420.00
IUPAC Name2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N4O2S/c16-10-8-12(17)14(13(18)9-10)25(23,24)21-11-2-6-22(7-3-11)15-19-4-1-5-20-15/h1,4-5,8-9,11,21H,2-3,6-7H2
InChIKeySISRIWIDBYPYHT-UHFFFAOYSA-N
XLogP3.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (CID 55905584) is 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is O=S(=O)(NC1CCN(c2ncccn2)CC1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is SISRIWIDBYPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N4O2S/c16-10-8-12(17)14(13(18)9-10)25(23,24)21-11-2-6-22(7-3-11)15-19-4-1-5-20-15/h1,4-5,8-9,11,21H,2-3,6-7H2.
What are the key properties of 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 421.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 55905584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).