4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide

C22H34N4O4S2 — CID 10917846

IUPAC4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCCNCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H34N4O4S2/c1-19-5-9-21(10-6-19)31(27,28)25-15-3-13-23-17-18-24-14-4-16-26-32(29,30)22-11-7-20(2)8-12-22/h5-12,23-26H,3-4,13-18H2,1-2H3
InChIKeyQIIOUPZBMDEUOF-UHFFFAOYSA-N
MW482.67 g/mol
LogP1.52
Rot. Bonds15

About 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide

4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide (PubChem CID 10917846) has the molecular formula C22H34N4O4S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
PubChem CID10917846
Molecular FormulaC22H34N4O4S2
Molecular Weight482.67 g/mol
Exact Mass482.20
IUPAC Name4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCCNCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H34N4O4S2/c1-19-5-9-21(10-6-19)31(27,28)25-15-3-13-23-17-18-24-14-4-16-26-32(29,30)22-11-7-20(2)8-12-22/h5-12,23-26H,3-4,13-18H2,1-2H3
InChIKeyQIIOUPZBMDEUOF-UHFFFAOYSA-N
XLogP1.52
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride
CID 174270268
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide (CID 10917846) is 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCNCCNCCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide?
The InChIKey is QIIOUPZBMDEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S2/c1-19-5-9-21(10-6-19)31(27,28)25-15-3-13-23-17-18-24-14-4-16-26-32(29,30)22-11-7-20(2)8-12-22/h5-12,23-26H,3-4,13-18H2,1-2H3.
What are the key properties of 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide?
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide has a molecular weight of 482.67 g/mol, XLogP of 1.52, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 10917846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).