2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide

C16H19NO4S2 — CID 26267558

IUPAC2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)c(C)c1
InChIInChI=1S/C16H19NO4S2/c1-11-5-8-16(13(3)9-11)23(20,21)17-15-10-14(22(4,18)19)7-6-12(15)2/h5-10,17H,1-4H3
InChIKeyGYARGSHWZKXGHM-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.82
Rot. Bonds4

About 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide

2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide (PubChem CID 26267558) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
PubChem CID26267558
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)c(C)c1
InChIInChI=1S/C16H19NO4S2/c1-11-5-8-16(13(3)9-11)23(20,21)17-15-10-14(22(4,18)19)7-6-12(15)2/h5-10,17H,1-4H3
InChIKeyGYARGSHWZKXGHM-UHFFFAOYSA-N
XLogP2.82
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241717
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300241
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500666
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
2-bromo-4-methyl-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzenesulfonamide
CID 35532972

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide (CID 26267558) is 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
The InChIKey is GYARGSHWZKXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-11-5-8-16(13(3)9-11)23(20,21)17-15-10-14(22(4,18)19)7-6-12(15)2/h5-10,17H,1-4H3.
What are the key properties of 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide?
2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 26267558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).