8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide

C15H17ClN2O3S — CID 97013728

IUPAC8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCC[C@H]1O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H17ClN2O3S/c16-12-6-7-14(11-4-2-8-17-15(11)12)22(20,21)18-9-10-3-1-5-13(10)19/h2,4,6-8,10,13,18-19H,1,3,5,9H2/t10-,13+/m0/s1
InChIKeyKOAXUMLVEGTJNG-GXFFZTMASA-N
MW340.83 g/mol
LogP2.33
Rot. Bonds4

About 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide

8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide (PubChem CID 97013728) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide
PubChem CID97013728
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCC[C@H]1O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H17ClN2O3S/c16-12-6-7-14(11-4-2-8-17-15(11)12)22(20,21)18-9-10-3-1-5-13(10)19/h2,4,6-8,10,13,18-19H,1,3,5,9H2/t10-,13+/m0/s1
InChIKeyKOAXUMLVEGTJNG-GXFFZTMASA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide?
The IUPAC name of 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide (CID 97013728) is 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide is O=S(=O)(NC[C@@H]1CCC[C@H]1O)c1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide?
The InChIKey is KOAXUMLVEGTJNG-GXFFZTMASA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c16-12-6-7-14(11-4-2-8-17-15(11)12)22(20,21)18-9-10-3-1-5-13(10)19/h2,4,6-8,10,13,18-19H,1,3,5,9H2/t10-,13+/m0/s1.
What are the key properties of 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide?
8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide has a molecular weight of 340.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide is sourced from PubChem (CID 97013728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).