3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide

C16H20N2O4S2 — CID 9241717

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(C)c1
InChIInChI=1S/C16H20N2O4S2/c1-10-5-6-16(12(3)7-10)24(21,22)18-15-9-14(23(17,19)20)8-11(2)13(15)4/h5-9,18H,1-4H3,(H2,17,19,20)
InChIKeyNWIXGNYQOIZICI-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.37
Rot. Bonds4

About 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide

3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide (PubChem CID 9241717) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
PubChem CID9241717
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(C)c1
InChIInChI=1S/C16H20N2O4S2/c1-10-5-6-16(12(3)7-10)24(21,22)18-15-9-14(23(17,19)20)8-11(2)13(15)4/h5-9,18H,1-4H3,(H2,17,19,20)
InChIKeyNWIXGNYQOIZICI-UHFFFAOYSA-N
XLogP2.37
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
CID 26267558
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241661
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
3,4-dimethyl-5-[(4-propylphenyl)sulfonylamino]benzenesulfonamide
CID 9241775
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
N-(2,3-dimethyl-5-sulfamoylphenyl)formamide
CID 64990440
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 166178665

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide (CID 9241717) is 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
The InChIKey is NWIXGNYQOIZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-10-5-6-16(12(3)7-10)24(21,22)18-15-9-14(23(17,19)20)8-11(2)13(15)4/h5-9,18H,1-4H3,(H2,17,19,20).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 9241717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).