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

C17H22N2O4S2 — CID 3731938

IUPAC4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14-4-8-16(9-5-14)24(20,21)18-12-3-13-19-25(22,23)17-10-6-15(2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyCPLSMCROYRDLCY-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.95
Rot. Bonds8

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

4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide (PubChem CID 3731938) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
PubChem CID3731938
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14-4-8-16(9-5-14)24(20,21)18-12-3-13-19-25(22,23)17-10-6-15(2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyCPLSMCROYRDLCY-UHFFFAOYSA-N
XLogP1.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide (CID 3731938) is 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide?
The InChIKey is CPLSMCROYRDLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-14-4-8-16(9-5-14)24(20,21)18-12-3-13-19-25(22,23)17-10-6-15(2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3.
What are the key properties of 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide?
4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 3731938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).