N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide

C16H19NO2S — CID 8504690

IUPACN-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C16H19NO2S/c1-11-8-9-12(2)15(10-11)20(18,19)17-16-13(3)6-5-7-14(16)4/h5-10,17H,1-4H3
InChIKeySXLAJWJQQQQNKV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.72
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide

N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 8504690) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID8504690
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C16H19NO2S/c1-11-8-9-12(2)15(10-11)20(18,19)17-16-13(3)6-5-7-14(16)4/h5-10,17H,1-4H3
InChIKeySXLAJWJQQQQNKV-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide (CID 8504690) is N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is SXLAJWJQQQQNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-8-9-12(2)15(10-11)20(18,19)17-16-13(3)6-5-7-14(16)4/h5-10,17H,1-4H3.
What are the key properties of N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide?
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 8504690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).