3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide

C24H23FN4O4S — CID 46663815

IUPAC3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN4O4S/c25-19-10-12-20(13-11-19)28-34(32,33)21-8-3-6-18(15-21)24(31)27-26-23(30)16-29-14-4-7-17-5-1-2-9-22(17)29/h1-3,5-6,8-13,15,28H,4,7,14,16H2,(H,26,30)(H,27,31)
InChIKeyMOVVHTIJIQDOFZ-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.84
Rot. Bonds6

About 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide

3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 46663815) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID46663815
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC Name3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN4O4S/c25-19-10-12-20(13-11-19)28-34(32,33)21-8-3-6-18(15-21)24(31)27-26-23(30)16-29-14-4-7-17-5-1-2-9-22(17)29/h1-3,5-6,8-13,15,28H,4,7,14,16H2,(H,26,30)(H,27,31)
InChIKeyMOVVHTIJIQDOFZ-UHFFFAOYSA-N
XLogP2.84
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
CID 24535853
5-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-2-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
CID 4849063
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593415
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide (CID 46663815) is 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide is O=C(CN1CCCc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is MOVVHTIJIQDOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c25-19-10-12-20(13-11-19)28-34(32,33)21-8-3-6-18(15-21)24(31)27-26-23(30)16-29-14-4-7-17-5-1-2-9-22(17)29/h1-3,5-6,8-13,15,28H,4,7,14,16H2,(H,26,30)(H,27,31).
What are the key properties of 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide?
3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 482.54 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 46663815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).