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
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
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
MW492.62 g/mol
LogP5.57
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 492.62 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 Weight492.62 g/mol
Exact Mass492.12
IUPAC Name4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
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
XLogP5.57
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-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434247
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide
CID 122233649
1-N-methyl-4-N-[2-(4-methylanilino)phenyl]benzene-1,4-disulfonamide
CID 39977625
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 59081622
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728

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 Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
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 492.62 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 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).