5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide

C20H16N4O4S2 — CID 59860041

IUPAC5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc3nccc(-c4cccc(S(N)(=O)=O)c4)c3c2)c1
InChIInChI=1S/C20H16N4O4S2/c21-29(25,26)16-3-1-2-14(8-16)18-6-7-24-20-5-4-13(10-19(18)20)15-9-17(12-23-11-15)30(22,27)28/h1-12H,(H2,21,25,26)(H2,22,27,28)
InChIKeyNUZJHJWGUPXLMQ-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.26
Rot. Bonds4

About 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide

5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide (PubChem CID 59860041) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
PubChem CID59860041
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC Name5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc3nccc(-c4cccc(S(N)(=O)=O)c4)c3c2)c1
InChIInChI=1S/C20H16N4O4S2/c21-29(25,26)16-3-1-2-14(8-16)18-6-7-24-20-5-4-13(10-19(18)20)15-9-17(12-23-11-15)30(22,27)28/h1-12H,(H2,21,25,26)(H2,22,27,28)
InChIKeyNUZJHJWGUPXLMQ-UHFFFAOYSA-N
XLogP2.26
TPSA146.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 25121265
N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide
CID 174601275
2-amino-5-[4-[3-(dimethylsulfamoyl)phenyl]quinolin-6-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 25167913
N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860014
N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860008
3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide
CID 174847740
3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide
CID 175307875
5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-carbonitrile
CID 59860010
2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide
CID 59860158
3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide
CID 67511321
ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
CID 144505728
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 67570814

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide (CID 59860041) is 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cncc(-c2ccc3nccc(-c4cccc(S(N)(=O)=O)c4)c3c2)c1.
What is the InChIKey of 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
The InChIKey is NUZJHJWGUPXLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c21-29(25,26)16-3-1-2-14(8-16)18-6-7-24-20-5-4-13(10-19(18)20)15-9-17(12-23-11-15)30(22,27)28/h1-12H,(H2,21,25,26)(H2,22,27,28).
What are the key properties of 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide?
5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide has a molecular weight of 440.51 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 59860041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).