N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide

C15H15BrClNO3S — CID 169370626

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15BrClNO3S/c1-3-21-15-13(16)8-11(17)9-14(15)18-22(19,20)12-6-4-10(2)5-7-12/h4-9,18H,3H2,1-2H3
InChIKeyVVQGNZDFEVIBCT-UHFFFAOYSA-N
MW404.71 g/mol
LogP4.61
Rot. Bonds5

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169370626) has the molecular formula C15H15BrClNO3S and a molecular weight of 404.71 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169370626
Molecular FormulaC15H15BrClNO3S
Molecular Weight404.71 g/mol
Exact Mass402.96
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15BrClNO3S/c1-3-21-15-13(16)8-11(17)9-14(15)18-22(19,20)12-6-4-10(2)5-7-12/h4-9,18H,3H2,1-2H3
InChIKeyVVQGNZDFEVIBCT-UHFFFAOYSA-N
XLogP4.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370534
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 169370073
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169370736
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
CID 169372007
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide (CID 169370626) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide is CCOc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is VVQGNZDFEVIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO3S/c1-3-21-15-13(16)8-11(17)9-14(15)18-22(19,20)12-6-4-10(2)5-7-12/h4-9,18H,3H2,1-2H3.
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 404.71 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).