4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide

C23H20ClN3O2S — CID 126594038

IUPAC4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1
InChIInChI=1S/C23H20ClN3O2S/c1-14-12-20-23(15(2)22(14)16-8-10-26-11-9-16)18(17-6-4-5-7-19(17)24)13-21(27-20)30(28,29)25-3/h4-13,25H,1-3H3
InChIKeyLGDWHGHUYPZNMC-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.14
Rot. Bonds4

About 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide

4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide (PubChem CID 126594038) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide
PubChem CID126594038
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1
InChIInChI=1S/C23H20ClN3O2S/c1-14-12-20-23(15(2)22(14)16-8-10-26-11-9-16)18(17-6-4-5-7-19(17)24)13-21(27-20)30(28,29)25-3/h4-13,25H,1-3H3
InChIKeyLGDWHGHUYPZNMC-UHFFFAOYSA-N
XLogP5.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone
CID 158401434
1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
CID 160809578
4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
CID 126594085
methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
CID 126594106
4-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 174761183
4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
CID 126594091
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
CID 71549486
N,3-dimethyl-2,4,5-triphenylbenzenesulfonamide
CID 175158278
3-(2,3-dichlorophenyl)-2,6-dimethyl-5-pyridin-4-ylpyridine
CID 56983111
4-(3-chloroazulen-1-yl)pyridine
CID 127025394
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
2-chloro-N,6-dimethylbenzenesulfonamide
CID 58436447

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide?
The IUPAC name of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide (CID 126594038) is 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide?
The canonical SMILES for 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide is CNS(=O)(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1.
What is the InChIKey of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide?
The InChIKey is LGDWHGHUYPZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-14-12-20-23(15(2)22(14)16-8-10-26-11-9-16)18(17-6-4-5-7-19(17)24)13-21(27-20)30(28,29)25-3/h4-13,25H,1-3H3.
What are the key properties of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide?
4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide has a molecular weight of 437.95 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide is sourced from PubChem (CID 126594038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).