N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide

C19H18Cl3N3O4S — CID 24877478

IUPACN-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1
InChIInChI=1S/C19H18Cl3N3O4S/c20-12-8-11-2-1-7-25(19(11)15(22)9-12)18(27)6-5-17(26)24-16-4-3-13(10-14(16)21)30(23,28)29/h3-4,8-10H,1-2,5-7H2,(H,24,26)(H2,23,28,29)
InChIKeyZZHHENIDJUGTSZ-UHFFFAOYSA-N
MW490.80 g/mol
LogP3.99
Rot. Bonds5

About N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide

N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide (PubChem CID 24877478) has the molecular formula C19H18Cl3N3O4S and a molecular weight of 490.80 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
PubChem CID24877478
Molecular FormulaC19H18Cl3N3O4S
Molecular Weight490.80 g/mol
Exact Mass489.01
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1
InChIInChI=1S/C19H18Cl3N3O4S/c20-12-8-11-2-1-7-25(19(11)15(22)9-12)18(27)6-5-17(26)24-16-4-3-13(10-14(16)21)30(23,28)29/h3-4,8-10H,1-2,5-7H2,(H,24,26)(H2,23,28,29)
InChIKeyZZHHENIDJUGTSZ-UHFFFAOYSA-N
XLogP3.99
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide (CID 24877478) is N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide is NS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide?
The InChIKey is ZZHHENIDJUGTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O4S/c20-12-8-11-2-1-7-25(19(11)15(22)9-12)18(27)6-5-17(26)24-16-4-3-13(10-14(16)21)30(23,28)29/h3-4,8-10H,1-2,5-7H2,(H,24,26)(H2,23,28,29).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide?
N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide has a molecular weight of 490.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-4-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 24877478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).