4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide

C26H24N2O4S2 — CID 1010988

IUPAC4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C
InChIInChI=1S/C26H24N2O4S2/c1-19-11-15-21(16-12-19)33(29,30)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
InChIKeyQXPLTVAEUPLTJT-UHFFFAOYSA-N
MW492.60 g/mol
LogP5.30
Rot. Bonds7

About 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide (PubChem CID 1010988) has the molecular formula C26H24N2O4S2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
PubChem CID1010988
Molecular FormulaC26H24N2O4S2
Molecular Weight492.60 g/mol
Exact Mass492.12
IUPAC Name4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C
InChIInChI=1S/C26H24N2O4S2/c1-19-11-15-21(16-12-19)33(29,30)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
InChIKeyQXPLTVAEUPLTJT-UHFFFAOYSA-N
XLogP5.30
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity776

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4'-Amino-1,1'-biphenyl-4-sulfonamide
CID 4961927
N-Biphenyl-2-yl-4-methyl-benzenesulfonamide
CID 818647
4-methyl-N-(naphthalen-2-yl)benzenesulfonamide
CID 224144
Benzenesulfono-o-toluidide
CID 87657
N,N'-(2-Methyl-1,4-phenylene)bis(benzenesulfonamide)
CID 261836
4-[2-[(4-Aminophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 9998322
Aromatic/heteroaromatic sulfonamide 31
CID 11508929
N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 1817526
n-(1-Naphthyl)benzenesulfonamide
CID 253799
4-methyl-N-(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzenesulfonamide
CID 256607

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide (CID 1010988) is 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide is CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C.
What is the InChIKey of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
The InChIKey is QXPLTVAEUPLTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S2/c1-19-11-15-21(16-12-19)33(29,30)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3.
What are the key properties of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 1010988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).