N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

C26H24N2O4S2 — CID 4994558

IUPACN-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O4S2/c1-19-3-11-23(12-4-19)27-33(29,30)25-15-7-21(8-16-25)22-9-17-26(18-10-22)34(31,32)28-24-13-5-20(2)6-14-24/h3-18,27-28H,1-2H3
InChIKeyDYZWWVCVMQIYEZ-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.57
Rot. Bonds7

About N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 4994558) has the molecular formula C26H24N2O4S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID4994558
Molecular FormulaC26H24N2O4S2
Molecular Weight492.62 g/mol
Exact Mass492.12
IUPAC NameN-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O4S2/c1-19-3-11-23(12-4-19)27-33(29,30)25-15-7-21(8-16-25)22-9-17-26(18-10-22)34(31,32)28-24-13-5-20(2)6-14-24/h3-18,27-28H,1-2H3
InChIKeyDYZWWVCVMQIYEZ-UHFFFAOYSA-N
XLogP5.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (CID 4994558) is N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is DYZWWVCVMQIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S2/c1-19-3-11-23(12-4-19)27-33(29,30)25-15-7-21(8-16-25)22-9-17-26(18-10-22)34(31,32)28-24-13-5-20(2)6-14-24/h3-18,27-28H,1-2H3.
What are the key properties of N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 492.62 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 4994558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).