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

C16H20N2O4S2 — CID 2948585

IUPAC2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-11-5-7-14(8-6-11)24(21,22)18(4)15-10-16(23(17,19)20)13(3)9-12(15)2/h5-10H,1-4H3,(H2,17,19,20)
InChIKeyVBQFKCLKOGOUQR-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.08
Rot. Bonds4

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

2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 2948585) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID2948585
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-11-5-7-14(8-6-11)24(21,22)18(4)15-10-16(23(17,19)20)13(3)9-12(15)2/h5-10H,1-4H3,(H2,17,19,20)
InChIKeyVBQFKCLKOGOUQR-UHFFFAOYSA-N
XLogP2.08
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide (CID 2948585) is 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is VBQFKCLKOGOUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-11-5-7-14(8-6-11)24(21,22)18(4)15-10-16(23(17,19)20)13(3)9-12(15)2/h5-10H,1-4H3,(H2,17,19,20).
What are the key properties of 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 2948585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).