2,4,5-trimethyl-N-phenylbenzenesulfonamide

C15H17NO2S — CID 35725783

IUPAC2,4,5-trimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C15H17NO2S/c1-11-9-13(3)15(10-12(11)2)19(17,18)16-14-7-5-4-6-8-14/h4-10,16H,1-3H3
InChIKeyPXUUCLLQTJTLAS-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.41
Rot. Bonds3

About 2,4,5-trimethyl-N-phenylbenzenesulfonamide

2,4,5-trimethyl-N-phenylbenzenesulfonamide (PubChem CID 35725783) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-phenylbenzenesulfonamide
PubChem CID35725783
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2,4,5-trimethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C15H17NO2S/c1-11-9-13(3)15(10-12(11)2)19(17,18)16-14-7-5-4-6-8-14/h4-10,16H,1-3H3
InChIKeyPXUUCLLQTJTLAS-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

2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoate
CID 7720276
2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 2937162
N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
2,4,5-trimethyl-N-[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]benzenesulfonamide
CID 18711097
2-hydroxy-4-methyl-N-phenylbenzenesulfonamide
CID 173356701
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803176
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-phenylbenzenesulfonamide (CID 35725783) is 2,4,5-trimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-phenylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-phenylbenzenesulfonamide?
The InChIKey is PXUUCLLQTJTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-9-13(3)15(10-12(11)2)19(17,18)16-14-7-5-4-6-8-14/h4-10,16H,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-phenylbenzenesulfonamide?
2,4,5-trimethyl-N-phenylbenzenesulfonamide 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 2,4,5-trimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 35725783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).