N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide

C22H16FN3O3S — CID 3981865

IUPACN-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C22H16FN3O3S/c23-18-9-2-4-11-20(18)26-30(28,29)17-8-5-7-16(14-17)24-22(27)21-13-12-15-6-1-3-10-19(15)25-21/h1-14,26H,(H,24,27)
InChIKeyMVRUBEQIIFWPOY-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.43
Rot. Bonds5

About N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide

N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide (PubChem CID 3981865) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide
PubChem CID3981865
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC NameN-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C22H16FN3O3S/c23-18-9-2-4-11-20(18)26-30(28,29)17-8-5-7-16(14-17)24-22(27)21-13-12-15-6-1-3-10-19(15)25-21/h1-14,26H,(H,24,27)
InChIKeyMVRUBEQIIFWPOY-UHFFFAOYSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[3-[(2-fluorophenyl)sulfamoyl]phenyl]urea
CID 4803235
N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
CID 39204506
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9468669
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 9107051
N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
CID 119050195

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide (CID 3981865) is N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide?
The InChIKey is MVRUBEQIIFWPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-18-9-2-4-11-20(18)26-30(28,29)17-8-5-7-16(14-17)24-22(27)21-13-12-15-6-1-3-10-19(15)25-21/h1-14,26H,(H,24,27).
What are the key properties of N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide?
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 3981865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).