N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C26H22FN3O5S2 — CID 2982317

IUPACN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22FN3O5S2/c1-18-2-14-24(15-3-18)36(32,33)29-22-8-4-19(5-9-22)26(31)28-21-12-16-25(17-13-21)37(34,35)30-23-10-6-20(27)7-11-23/h2-17,29-30H,1H3,(H,28,31)
InChIKeyWRLPEHMGSAEMCC-UHFFFAOYSA-N
MW539.61 g/mol
LogP4.99
Rot. Bonds8

About N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 2982317) has the molecular formula C26H22FN3O5S2 and a molecular weight of 539.61 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID2982317
Molecular FormulaC26H22FN3O5S2
Molecular Weight539.61 g/mol
Exact Mass539.10
IUPAC NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H22FN3O5S2/c1-18-2-14-24(15-3-18)36(32,33)29-22-8-4-19(5-9-22)26(31)28-21-12-16-25(17-13-21)37(34,35)30-23-10-6-20(27)7-11-23/h2-17,29-30H,1H3,(H,28,31)
InChIKeyWRLPEHMGSAEMCC-UHFFFAOYSA-N
XLogP4.99
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.61
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 2982317) is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is WRLPEHMGSAEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O5S2/c1-18-2-14-24(15-3-18)36(32,33)29-22-8-4-19(5-9-22)26(31)28-21-12-16-25(17-13-21)37(34,35)30-23-10-6-20(27)7-11-23/h2-17,29-30H,1H3,(H,28,31).
What are the key properties of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 539.61 g/mol, XLogP of 4.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2982317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).