N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide

C18H14ClN3O5S — CID 24539137

IUPACN-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H14ClN3O5S/c19-14-7-1-2-8-15(14)22-28(25,26)13-6-3-5-12(11-13)17(23)20-21-18(24)16-9-4-10-27-16/h1-11,22H,(H,20,23)(H,21,24)
InChIKeyQVUWTSXLQXFXSB-UHFFFAOYSA-N
MW419.85 g/mol
LogP2.81
Rot. Bonds5

About N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide

N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 24539137) has the molecular formula C18H14ClN3O5S and a molecular weight of 419.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID24539137
Molecular FormulaC18H14ClN3O5S
Molecular Weight419.85 g/mol
Exact Mass419.03
IUPAC NameN-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H14ClN3O5S/c19-14-7-1-2-8-15(14)22-28(25,26)13-6-3-5-12(11-13)17(23)20-21-18(24)16-9-4-10-27-16/h1-11,22H,(H,20,23)(H,21,24)
InChIKeyQVUWTSXLQXFXSB-UHFFFAOYSA-N
XLogP2.81
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 52.81
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

3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
N-[2-[[3-[(2-chlorophenyl)sulfamoyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 39891473
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511
3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2084455
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-[1-[2-[3-[(2-chlorophenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 24654446
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[[[(E)-4-(1,3-benzodioxol-5-yl)but-2-en-2-yl]amino]carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 2392809

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 24539137) is N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is QVUWTSXLQXFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O5S/c19-14-7-1-2-8-15(14)22-28(25,26)13-6-3-5-12(11-13)17(23)20-21-18(24)16-9-4-10-27-16/h1-11,22H,(H,20,23)(H,21,24).
What are the key properties of N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide?
N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 419.85 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(furan-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24539137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).