N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide

C20H20N4O4S — CID 35067665

IUPACN-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13(2)24-29(27,28)16-10-7-15(8-11-16)19(25)22-23-20(26)18-12-9-14-5-3-4-6-17(14)21-18/h3-13,24H,1-2H3,(H,22,25)(H,23,26)
InChIKeyHZORGWNTJBEMCD-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.00
Rot. Bonds5

About N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide

N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 35067665) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID35067665
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H20N4O4S/c1-13(2)24-29(27,28)16-10-7-15(8-11-16)19(25)22-23-20(26)18-12-9-14-5-3-4-6-17(14)21-18/h3-13,24H,1-2H3,(H,22,25)(H,23,26)
InChIKeyHZORGWNTJBEMCD-UHFFFAOYSA-N
XLogP2.00
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.00
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-cyclohexyl-N-methyl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 46652391
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 30797973
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 18159261
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
N'-butanoylquinoline-2-carbohydrazide
CID 29266790

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 35067665) is N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is HZORGWNTJBEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13(2)24-29(27,28)16-10-7-15(8-11-16)19(25)22-23-20(26)18-12-9-14-5-3-4-6-17(14)21-18/h3-13,24H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 35067665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).