N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide

C18H17N3O3S — CID 146077356

IUPACN-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cccnc3c2)cc1
InChIInChI=1S/C18H17N3O3S/c19-25(23,24)16-7-3-13(4-8-16)9-11-21-18(22)15-6-5-14-2-1-10-20-17(14)12-15/h1-8,10,12H,9,11H2,(H,21,22)(H2,19,23,24)
InChIKeyTZGLCKIXGJQORE-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide (PubChem CID 146077356) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
PubChem CID146077356
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cccnc3c2)cc1
InChIInChI=1S/C18H17N3O3S/c19-25(23,24)16-7-3-13(4-8-16)9-11-21-18(22)15-6-5-14-2-1-10-20-17(14)12-15/h1-8,10,12H,9,11H2,(H,21,22)(H2,19,23,24)
InChIKeyTZGLCKIXGJQORE-UHFFFAOYSA-N
XLogP1.85
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430
4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 20916291
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide (CID 146077356) is N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3cccnc3c2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide?
The InChIKey is TZGLCKIXGJQORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-25(23,24)16-7-3-13(4-8-16)9-11-21-18(22)15-6-5-14-2-1-10-20-17(14)12-15/h1-8,10,12H,9,11H2,(H,21,22)(H2,19,23,24).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 146077356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).