4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide

C30H28N2O4S2 — CID 71592984

IUPAC4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2-c2cc3cc(C)ccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H28N2O4S2/c1-20-5-11-25(12-6-20)37(33,34)31-28-15-9-23(4)18-27(28)30-19-24-17-22(3)10-16-29(24)32(30)38(35,36)26-13-7-21(2)8-14-26/h5-19,31H,1-4H3
InChIKeyWZSCTOWSBFZFIS-UHFFFAOYSA-N
MW544.70 g/mol
LogP6.58
Rot. Bonds6

About 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide

4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide (PubChem CID 71592984) has the molecular formula C30H28N2O4S2 and a molecular weight of 544.70 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide
PubChem CID71592984
Molecular FormulaC30H28N2O4S2
Molecular Weight544.70 g/mol
Exact Mass544.15
IUPAC Name4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2-c2cc3cc(C)ccc3n2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H28N2O4S2/c1-20-5-11-25(12-6-20)37(33,34)31-28-15-9-23(4)18-27(28)30-19-24-17-22(3)10-16-29(24)32(30)38(35,36)26-13-7-21(2)8-14-26/h5-19,31H,1-4H3
InChIKeyWZSCTOWSBFZFIS-UHFFFAOYSA-N
XLogP6.58
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide (CID 71592984) is 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2-c2cc3cc(C)ccc3n2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide?
The InChIKey is WZSCTOWSBFZFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4S2/c1-20-5-11-25(12-6-20)37(33,34)31-28-15-9-23(4)18-27(28)30-19-24-17-22(3)10-16-29(24)32(30)38(35,36)26-13-7-21(2)8-14-26/h5-19,31H,1-4H3.
What are the key properties of 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide?
4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide has a molecular weight of 544.70 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-2-[5-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 71592984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).