N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide

C19H12ClN3O6S — CID 56582600

IUPACN-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccco1
InChIInChI=1S/C19H12ClN3O6S/c20-10-3-6-14(15(8-10)21-19(26)16-2-1-7-29-16)23-30(27,28)11-4-5-12-13(9-11)18(25)22-17(12)24/h1-9,23H,(H,21,26)(H,22,24,25)
InChIKeyKSEXWKKMHNOMMA-UHFFFAOYSA-N
MW445.84 g/mol
LogP2.87
Rot. Bonds5

About N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide (PubChem CID 56582600) has the molecular formula C19H12ClN3O6S and a molecular weight of 445.84 g/mol. Its IUPAC name is N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide
PubChem CID56582600
Molecular FormulaC19H12ClN3O6S
Molecular Weight445.84 g/mol
Exact Mass445.01
IUPAC NameN-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccco1
InChIInChI=1S/C19H12ClN3O6S/c20-10-3-6-14(15(8-10)21-19(26)16-2-1-7-29-16)23-30(27,28)11-4-5-12-13(9-11)18(25)22-17(12)24/h1-9,23H,(H,21,26)(H,22,24,25)
InChIKeyKSEXWKKMHNOMMA-UHFFFAOYSA-N
XLogP2.87
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.84
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
CID 39344896
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide
CID 167826820
N-[5-chloro-2-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]furan-2-carboxamide
CID 39344855
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide
CID 44898443
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582379
N-[2-[[3-[(2-chlorophenyl)sulfamoyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 39891473

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide (CID 56582600) is N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccco1.
What is the InChIKey of N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide?
The InChIKey is KSEXWKKMHNOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O6S/c20-10-3-6-14(15(8-10)21-19(26)16-2-1-7-29-16)23-30(27,28)11-4-5-12-13(9-11)18(25)22-17(12)24/h1-9,23H,(H,21,26)(H,22,24,25).
What are the key properties of N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide has a molecular weight of 445.84 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56582600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).