N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide

C15H16BrNO4S2 — CID 169370073

IUPACN-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(Br)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H16BrNO4S2/c1-3-22(18,19)13-8-9-14(16)15(10-13)17-23(20,21)12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3
InChIKeyVGYYWGMNFPDUEU-UHFFFAOYSA-N
MW418.33 g/mol
LogP3.35
Rot. Bonds5

About N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide

N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169370073) has the molecular formula C15H16BrNO4S2 and a molecular weight of 418.33 g/mol. Its IUPAC name is N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
PubChem CID169370073
Molecular FormulaC15H16BrNO4S2
Molecular Weight418.33 g/mol
Exact Mass416.97
IUPAC NameN-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(Br)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H16BrNO4S2/c1-3-22(18,19)13-8-9-14(16)15(10-13)17-23(20,21)12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3
InChIKeyVGYYWGMNFPDUEU-UHFFFAOYSA-N
XLogP3.35
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
CID 169372007
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
CID 61468471
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370626
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide (CID 169370073) is N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide is CCS(=O)(=O)c1ccc(Br)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is VGYYWGMNFPDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S2/c1-3-22(18,19)13-8-9-14(16)15(10-13)17-23(20,21)12-6-4-11(2)5-7-12/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide?
N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 418.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).