6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide

C20H19Cl2N3O3S — CID 155288495

IUPAC6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3ncccc3cc2Cl)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-25(4-2)29(27,28)19-11-14(7-8-16(19)21)24-20(26)15-12-18-13(10-17(15)22)6-5-9-23-18/h5-12H,3-4H2,1-2H3,(H,24,26)
InChIKeyUIOCZZCTXPODGM-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.82
Rot. Bonds6

About 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide

6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide (PubChem CID 155288495) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
PubChem CID155288495
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC Name6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3ncccc3cc2Cl)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-25(4-2)29(27,28)19-11-14(7-8-16(19)21)24-20(26)15-12-18-13(10-17(15)22)6-5-9-23-18/h5-12H,3-4H2,1-2H3,(H,24,26)
InChIKeyUIOCZZCTXPODGM-UHFFFAOYSA-N
XLogP4.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770704
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 76858101
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666411
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55684932

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide?
The IUPAC name of 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide (CID 155288495) is 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide?
The canonical SMILES for 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3ncccc3cc2Cl)ccc1Cl.
What is the InChIKey of 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide?
The InChIKey is UIOCZZCTXPODGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-3-25(4-2)29(27,28)19-11-14(7-8-16(19)21)24-20(26)15-12-18-13(10-17(15)22)6-5-9-23-18/h5-12H,3-4H2,1-2H3,(H,24,26).
What are the key properties of 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide?
6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide has a molecular weight of 452.36 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide is sourced from PubChem (CID 155288495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).