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

C22H32N2O7S2 — CID 4213527

IUPAC4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H32N2O7S2/c1-19-3-7-21(8-4-19)32(25,26)23-11-13-29-15-17-31-18-16-30-14-12-24-33(27,28)22-9-5-20(2)6-10-22/h3-10,23-24H,11-18H2,1-2H3
InChIKeyQFKGJEJMAFTWIU-UHFFFAOYSA-N
MW500.64 g/mol
LogP1.61
Rot. Bonds16

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

4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide (PubChem CID 4213527) has the molecular formula C22H32N2O7S2 and a molecular weight of 500.64 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
PubChem CID4213527
Molecular FormulaC22H32N2O7S2
Molecular Weight500.64 g/mol
Exact Mass500.17
IUPAC Name4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H32N2O7S2/c1-19-3-7-21(8-4-19)32(25,26)23-11-13-29-15-17-31-18-16-30-14-12-24-33(27,28)22-9-5-20(2)6-10-22/h3-10,23-24H,11-18H2,1-2H3
InChIKeyQFKGJEJMAFTWIU-UHFFFAOYSA-N
XLogP1.61
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3731938
N,N'-1,2-Ethanediylbis(4-methylbenzenesulfonamide)
CID 95237
N,N'-[oxybis(ethane-2,1-diyl)]bis(4-methylbenzenesulfonamide)
CID 651995
(Phenylsulfonyl)(2-{2-[(phenylsulfonyl)amino]ethoxy}ethyl)amine
CID 2270178
N,N'-1,2-propanediylbis(4-methylbenzenesulfonamide)
CID 2932603
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149
Benzenesulfonamide, N,N'-1,6-hexanediylbis[4-methyl-
CID 283340
7,16-Bis-(toluene-4-sulfonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane
CID 2829024
N-(2-methoxyethyl)-4'-methyl-[1,1'-biphenyl]-4-sulfonamide
CID 2190160
Methyl 2-({[4-(4-{[(2-methoxy-2-oxoethyl)amino]sulfonyl}benzyl)phenyl]sulfonyl}amino)acetate
CID 3238699
N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
CID 3240751
4-methyl-N-{3-[(phenylsulfonyl)amino]propyl}benzenesulfonamide
CID 2186087

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide (CID 4213527) is 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
The InChIKey is QFKGJEJMAFTWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O7S2/c1-19-3-7-21(8-4-19)32(25,26)23-11-13-29-15-17-31-18-16-30-14-12-24-33(27,28)22-9-5-20(2)6-10-22/h3-10,23-24H,11-18H2,1-2H3.
What are the key properties of 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide?
4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 500.64 g/mol, XLogP of 1.61, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 4213527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).