1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide

C23H20FN3O4S — CID 167828439

IUPAC1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CCC2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN3O4S/c24-17-9-11-18(12-10-17)26-23(29)21-13-8-15-4-1-2-7-20(15)27(21)32(30,31)19-6-3-5-16(14-19)22(25)28/h1-7,9-12,14,21H,8,13H2,(H2,25,28)(H,26,29)
InChIKeyITUWZKJFDYSNAS-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide

1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 167828439) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID167828439
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC Name1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CCC2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H20FN3O4S/c24-17-9-11-18(12-10-17)26-23(29)21-13-8-15-4-1-2-7-20(15)27(21)32(30,31)19-6-3-5-16(14-19)22(25)28/h1-7,9-12,14,21H,8,13H2,(H2,25,28)(H,26,29)
InChIKeyITUWZKJFDYSNAS-UHFFFAOYSA-N
XLogP3.07
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 126803928
N-(4-fluorophenyl)-1-isoquinolin-5-ylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 167841112
[2-(4-carbamoylanilino)-2-oxoethyl] 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2092411
ethyl 3-[[(2R)-1-(4-fluorophenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 93059322
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
(2-anilino-2-oxoethyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551453
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
[(2R)-1-(3,4-difluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 97311670
N-propan-2-yl-1-(3,4,5-trimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 20692693
2-[1-cyclopropyl-2-(4-fluoroanilino)-2-oxoethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223184
[2-(4-iodoanilino)-2-oxoethyl] 3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2350003
methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
CID 2998844

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide (CID 167828439) is 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide is NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CCC2C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is ITUWZKJFDYSNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c24-17-9-11-18(12-10-17)26-23(29)21-13-8-15-4-1-2-7-20(15)27(21)32(30,31)19-6-3-5-16(14-19)22(25)28/h1-7,9-12,14,21H,8,13H2,(H2,25,28)(H,26,29).
What are the key properties of 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide?
1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylphenyl)sulfonyl-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 167828439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).