4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

C24H22N2O4S2 — CID 1381629

IUPAC4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2O4S2/c1-17-7-11-19(12-8-17)31(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-32(29,30)20-13-9-18(2)10-14-20/h3-16,25-26H,1-2H3
InChIKeyKSXCVCQCFBBFLL-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.06
Rot. Bonds6

About 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (PubChem CID 1381629) has the molecular formula C24H22N2O4S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
PubChem CID1381629
Molecular FormulaC24H22N2O4S2
Molecular Weight466.58 g/mol
Exact Mass466.10
IUPAC Name4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2O4S2/c1-17-7-11-19(12-8-17)31(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-32(29,30)20-13-9-18(2)10-14-20/h3-16,25-26H,1-2H3
InChIKeyKSXCVCQCFBBFLL-UHFFFAOYSA-N
XLogP5.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (CID 1381629) is 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is KSXCVCQCFBBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S2/c1-17-7-11-19(12-8-17)31(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-32(29,30)20-13-9-18(2)10-14-20/h3-16,25-26H,1-2H3.
What are the key properties of 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 466.58 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 1381629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).