N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

C23H20ClN3O2S — CID 66757324

IUPACN-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O2S/c24-20-6-4-5-18(12-20)15-27-16-21(13-19-11-17(14-25)9-10-23(19)27)26-30(28,29)22-7-2-1-3-8-22/h1-12,21,26H,13,15-16H2
InChIKeyFKRWAVJHZWHRQL-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (PubChem CID 66757324) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
PubChem CID66757324
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O2S/c24-20-6-4-5-18(12-20)15-27-16-21(13-19-11-17(14-25)9-10-23(19)27)26-30(28,29)22-7-2-1-3-8-22/h1-12,21,26H,13,15-16H2
InChIKeyFKRWAVJHZWHRQL-UHFFFAOYSA-N
XLogP4.12
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (CID 66757324) is N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is N#Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The InChIKey is FKRWAVJHZWHRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c24-20-6-4-5-18(12-20)15-27-16-21(13-19-11-17(14-25)9-10-23(19)27)26-30(28,29)22-7-2-1-3-8-22/h1-12,21,26H,13,15-16H2.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide has a molecular weight of 437.95 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 66757324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).