N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide

C24H18ClN3O5S — CID 42014553

IUPACN-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18ClN3O5S/c25-17-5-7-20(8-6-17)28-34(31,32)21-13-3-16(4-14-21)23(29)26-18-9-11-19(12-10-18)27-24(30)22-2-1-15-33-22/h1-15,28H,(H,26,29)(H,27,30)
InChIKeyNTCGCRDJTZFGKI-UHFFFAOYSA-N
MW495.94 g/mol
LogP5.24
Rot. Bonds7

About N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide

N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 42014553) has the molecular formula C24H18ClN3O5S and a molecular weight of 495.94 g/mol. Its IUPAC name is N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
PubChem CID42014553
Molecular FormulaC24H18ClN3O5S
Molecular Weight495.94 g/mol
Exact Mass495.07
IUPAC NameN-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H18ClN3O5S/c25-17-5-7-20(8-6-17)28-34(31,32)21-13-3-16(4-14-21)23(29)26-18-9-11-19(12-10-18)27-24(30)22-2-1-15-33-22/h1-15,28H,(H,26,29)(H,27,30)
InChIKeyNTCGCRDJTZFGKI-UHFFFAOYSA-N
XLogP5.24
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.94
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014548
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887
[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
CID 26190079
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide (CID 42014553) is N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is NTCGCRDJTZFGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O5S/c25-17-5-7-20(8-6-17)28-34(31,32)21-13-3-16(4-14-21)23(29)26-18-9-11-19(12-10-18)27-24(30)22-2-1-15-33-22/h1-15,28H,(H,26,29)(H,27,30).
What are the key properties of N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 495.94 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42014553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).