4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide

C24H36N2O4S2 — CID 12715316

IUPAC4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCCCCCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H36N2O4S2/c1-21-11-15-23(16-12-21)31(27,28)25-19-9-7-5-3-4-6-8-10-20-26-32(29,30)24-17-13-22(2)14-18-24/h11-18,25-26H,3-10,19-20H2,1-2H3
InChIKeyOTOUFLXSMOCJOU-UHFFFAOYSA-N
MW480.70 g/mol
LogP4.68
Rot. Bonds15

About 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide (PubChem CID 12715316) has the molecular formula C24H36N2O4S2 and a molecular weight of 480.70 g/mol. Its IUPAC name is 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
PubChem CID12715316
Molecular FormulaC24H36N2O4S2
Molecular Weight480.70 g/mol
Exact Mass480.21
IUPAC Name4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCCCCCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H36N2O4S2/c1-21-11-15-23(16-12-21)31(27,28)25-19-9-7-5-3-4-6-8-10-20-26-32(29,30)24-17-13-22(2)14-18-24/h11-18,25-26H,3-10,19-20H2,1-2H3
InChIKeyOTOUFLXSMOCJOU-UHFFFAOYSA-N
XLogP4.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.70
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
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
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
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide (CID 12715316) is 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCCCCCCCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide?
The InChIKey is OTOUFLXSMOCJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4S2/c1-21-11-15-23(16-12-21)31(27,28)25-19-9-7-5-3-4-6-8-10-20-26-32(29,30)24-17-13-22(2)14-18-24/h11-18,25-26H,3-10,19-20H2,1-2H3.
What are the key properties of 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide?
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide has a molecular weight of 480.70 g/mol, XLogP of 4.68, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide is sourced from PubChem (CID 12715316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).