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

C18H24N2O5S2 — CID 651995

IUPAC4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H24N2O5S2/c1-15-3-7-17(8-4-15)26(21,22)19-11-13-25-14-12-20-27(23,24)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyLUUIQKWJSXDLKT-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.58
Rot. Bonds10

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

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide (PubChem CID 651995) has the molecular formula C18H24N2O5S2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide
PubChem CID651995
Molecular FormulaC18H24N2O5S2
Molecular Weight412.53 g/mol
Exact Mass412.11
IUPAC Name4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H24N2O5S2/c1-15-3-7-17(8-4-15)26(21,22)19-11-13-25-14-12-20-27(23,24)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyLUUIQKWJSXDLKT-UHFFFAOYSA-N
XLogP1.58
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide (CID 651995) is 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide?
The InChIKey is LUUIQKWJSXDLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S2/c1-15-3-7-17(8-4-15)26(21,22)19-11-13-25-14-12-20-27(23,24)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide?
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 412.53 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 651995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).