N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide

C15H17NO2S — CID 47104321

IUPACN-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-4-6-14(9-11)19(17,18)16-15-10-12(2)7-8-13(15)3/h4-10,16H,1-3H3
InChIKeyXBXUGAYMGQRZOZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.41
Rot. Bonds3

About N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide

N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide (PubChem CID 47104321) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
PubChem CID47104321
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-4-6-14(9-11)19(17,18)16-15-10-12(2)7-8-13(15)3/h4-10,16H,1-3H3
InChIKeyXBXUGAYMGQRZOZ-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-chloro-3-methylbenzenesulfonamide
CID 18672211
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-[2-(aminomethyl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 107802273
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide (CID 47104321) is N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is XBXUGAYMGQRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-5-4-6-14(9-11)19(17,18)16-15-10-12(2)7-8-13(15)3/h4-10,16H,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide?
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 47104321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).