N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide

C23H18ClN3O6S — CID 24672563

IUPACN-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C23H18ClN3O6S/c24-19-9-8-15(12-21(19)34(30,31)25-14-18-6-2-10-32-18)22(28)26-16-4-1-5-17(13-16)27-23(29)20-7-3-11-33-20/h1-13,25H,14H2,(H,26,28)(H,27,29)
InChIKeyPDTALPUARLVFAH-UHFFFAOYSA-N
MW499.93 g/mol
LogP4.51
Rot. Bonds8

About N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide

N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 24672563) has the molecular formula C23H18ClN3O6S and a molecular weight of 499.93 g/mol. Its IUPAC name is N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
PubChem CID24672563
Molecular FormulaC23H18ClN3O6S
Molecular Weight499.93 g/mol
Exact Mass499.06
IUPAC NameN-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C23H18ClN3O6S/c24-19-9-8-15(12-21(19)34(30,31)25-14-18-6-2-10-32-18)22(28)26-16-4-1-5-17(13-16)27-23(29)20-7-3-11-33-20/h1-13,25H,14H2,(H,26,28)(H,27,29)
InChIKeyPDTALPUARLVFAH-UHFFFAOYSA-N
XLogP4.51
TPSA130.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.93
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36717175
4-chloro-N-(4-ethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36705186
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38853493
2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 36866380
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide (CID 24672563) is N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is PDTALPUARLVFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O6S/c24-19-9-8-15(12-21(19)34(30,31)25-14-18-6-2-10-32-18)22(28)26-16-4-1-5-17(13-16)27-23(29)20-7-3-11-33-20/h1-13,25H,14H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 499.93 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24672563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).