N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide

C17H22N2O4S2 — CID 2921882

IUPACN,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C
InChIInChI=1S/C17H22N2O4S2/c1-12-6-8-15(9-7-12)25(22,23)19(5)16-11-17(24(20,21)18-4)14(3)10-13(16)2/h6-11,18H,1-5H3
InChIKeyMHWMLMXIPUVNJB-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.35
Rot. Bonds5

About N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide

N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 2921882) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID2921882
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C
InChIInChI=1S/C17H22N2O4S2/c1-12-6-8-15(9-7-12)25(22,23)19(5)16-11-17(24(20,21)18-4)14(3)10-13(16)2/h6-11,18H,1-5H3
InChIKeyMHWMLMXIPUVNJB-UHFFFAOYSA-N
XLogP2.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide (CID 2921882) is N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C.
What is the InChIKey of N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is MHWMLMXIPUVNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-12-6-8-15(9-7-12)25(22,23)19(5)16-11-17(24(20,21)18-4)14(3)10-13(16)2/h6-11,18H,1-5H3.
What are the key properties of N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 2921882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).