3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide

C23H20ClN3O2S — CID 68845404

IUPAC3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CCc2ccc3ccccc3n2)cn1
InChIInChI=1S/C23H20ClN3O2S/c1-16-20(24)6-4-8-22(16)30(28,29)27-23-14-10-17(15-25-23)9-12-19-13-11-18-5-2-3-7-21(18)26-19/h2-8,10-11,13-15H,9,12H2,1H3,(H,25,27)
InChIKeyCUZVJIVSRPXFFC-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.18
Rot. Bonds6

About 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide

3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 68845404) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID68845404
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CCc2ccc3ccccc3n2)cn1
InChIInChI=1S/C23H20ClN3O2S/c1-16-20(24)6-4-8-22(16)30(28,29)27-23-14-10-17(15-25-23)9-12-19-13-11-18-5-2-3-7-21(18)26-19/h2-8,10-11,13-15H,9,12H2,1H3,(H,25,27)
InChIKeyCUZVJIVSRPXFFC-UHFFFAOYSA-N
XLogP5.18
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide (CID 68845404) is 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CCc2ccc3ccccc3n2)cn1.
What is the InChIKey of 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is CUZVJIVSRPXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-16-20(24)6-4-8-22(16)30(28,29)27-23-14-10-17(15-25-23)9-12-19-13-11-18-5-2-3-7-21(18)26-19/h2-8,10-11,13-15H,9,12H2,1H3,(H,25,27).
What are the key properties of 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide?
3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 437.95 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 68845404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).