4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide

C26H22FN3O5S2 — CID 19062739

IUPAC4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H22FN3O5S2/c1-18-17-19(7-16-25(18)30-37(34,35)23-5-3-2-4-6-23)26(31)28-21-12-14-24(15-13-21)36(32,33)29-22-10-8-20(27)9-11-22/h2-17,29-30H,1H3,(H,28,31)
InChIKeyZUVZDYOPQZOWCB-UHFFFAOYSA-N
MW539.61 g/mol
LogP4.99
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide

4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide (PubChem CID 19062739) has the molecular formula C26H22FN3O5S2 and a molecular weight of 539.61 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
PubChem CID19062739
Molecular FormulaC26H22FN3O5S2
Molecular Weight539.61 g/mol
Exact Mass539.10
IUPAC Name4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H22FN3O5S2/c1-18-17-19(7-16-25(18)30-37(34,35)23-5-3-2-4-6-23)26(31)28-21-12-14-24(15-13-21)36(32,33)29-22-10-8-20(27)9-11-22/h2-17,29-30H,1H3,(H,28,31)
InChIKeyZUVZDYOPQZOWCB-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

N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide (CID 19062739) is 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The InChIKey is ZUVZDYOPQZOWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O5S2/c1-18-17-19(7-16-25(18)30-37(34,35)23-5-3-2-4-6-23)26(31)28-21-12-14-24(15-13-21)36(32,33)29-22-10-8-20(27)9-11-22/h2-17,29-30H,1H3,(H,28,31).
What are the key properties of 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide?
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide 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 4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 19062739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).