N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide

C15H17NO4S2 — CID 86920060

IUPACN-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO4S2/c1-3-12-8-10-13(11-9-12)16-22(19,20)15-7-5-4-6-14(15)21(2,17)18/h4-11,16H,3H2,1-2H3
InChIKeyPEPZBRJBSCAUNR-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.45
Rot. Bonds5

About N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide

N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide (PubChem CID 86920060) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
PubChem CID86920060
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC NameN-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO4S2/c1-3-12-8-10-13(11-9-12)16-22(19,20)15-7-5-4-6-14(15)21(2,17)18/h4-11,16H,3H2,1-2H3
InChIKeyPEPZBRJBSCAUNR-UHFFFAOYSA-N
XLogP2.45
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532986
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
3-ethyl-N-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 51042803
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22773854

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide (CID 86920060) is N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide?
The InChIKey is PEPZBRJBSCAUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-3-12-8-10-13(11-9-12)16-22(19,20)15-7-5-4-6-14(15)21(2,17)18/h4-11,16H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide?
N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide has a molecular weight of 339.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 86920060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).