N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide

C23H17Cl2N3O6S2 — CID 118497675

IUPACN-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N(Cl)S(=O)(=O)c2ccccc2)c(N(Cl)S(=O)(=O)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C23H17Cl2N3O6S2/c24-27(35(30,31)18-8-3-1-4-9-18)20-14-13-17(26-23(29)22-12-7-15-34-22)16-21(20)28(25)36(32,33)19-10-5-2-6-11-19/h1-16H,(H,26,29)
InChIKeyQFJVBIFMGJCTHX-UHFFFAOYSA-N
MW566.44 g/mol
LogP5.23
Rot. Bonds8

About N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide

N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide (PubChem CID 118497675) has the molecular formula C23H17Cl2N3O6S2 and a molecular weight of 566.44 g/mol. Its IUPAC name is N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide
PubChem CID118497675
Molecular FormulaC23H17Cl2N3O6S2
Molecular Weight566.44 g/mol
Exact Mass564.99
IUPAC NameN-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N(Cl)S(=O)(=O)c2ccccc2)c(N(Cl)S(=O)(=O)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C23H17Cl2N3O6S2/c24-27(35(30,31)18-8-3-1-4-9-18)20-14-13-17(26-23(29)22-12-7-15-34-22)16-21(20)28(25)36(32,33)19-10-5-2-6-11-19/h1-16H,(H,26,29)
InChIKeyQFJVBIFMGJCTHX-UHFFFAOYSA-N
XLogP5.23
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 91676109
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9072392
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide (CID 118497675) is N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide is O=C(Nc1ccc(N(Cl)S(=O)(=O)c2ccccc2)c(N(Cl)S(=O)(=O)c2ccccc2)c1)c1ccco1.
What is the InChIKey of N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide?
The InChIKey is QFJVBIFMGJCTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O6S2/c24-27(35(30,31)18-8-3-1-4-9-18)20-14-13-17(26-23(29)22-12-7-15-34-22)16-21(20)28(25)36(32,33)19-10-5-2-6-11-19/h1-16H,(H,26,29).
What are the key properties of N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide?
N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide has a molecular weight of 566.44 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis[benzenesulfonyl(chloro)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 118497675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).