3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide

C16H20N2O4S2 — CID 2972740

IUPAC3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1C
InChIInChI=1S/C16H20N2O4S2/c1-11-7-5-6-8-14(11)17-24(21,22)15-10-9-12(2)16(13(15)3)18-23(4,19)20/h5-10,17-18H,1-4H3
InChIKeyALTVJKJFTGQOFY-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.78
Rot. Bonds5

About 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide

3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 2972740) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID2972740
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1C
InChIInChI=1S/C16H20N2O4S2/c1-11-7-5-6-8-14(11)17-24(21,22)15-10-9-12(2)16(13(15)3)18-23(4,19)20/h5-10,17-18H,1-4H3
InChIKeyALTVJKJFTGQOFY-UHFFFAOYSA-N
XLogP2.78
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide (CID 2972740) is 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1C.
What is the InChIKey of 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is ALTVJKJFTGQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-11-7-5-6-8-14(11)17-24(21,22)15-10-9-12(2)16(13(15)3)18-23(4,19)20/h5-10,17-18H,1-4H3.
What are the key properties of 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2972740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).