N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide

C15H16BrNO3S — CID 110604794

IUPACN-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-3-20-14-4-6-15(7-5-14)21(18,19)17-13-9-11(2)8-12(16)10-13/h4-10,17H,3H2,1-2H3
InChIKeyYNLRWAHGZBIDKQ-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.96
Rot. Bonds5

About N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide

N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide (PubChem CID 110604794) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
PubChem CID110604794
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-3-20-14-4-6-15(7-5-14)21(18,19)17-13-9-11(2)8-12(16)10-13/h4-10,17H,3H2,1-2H3
InChIKeyYNLRWAHGZBIDKQ-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913
N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107584266
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
CID 62057274
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide (CID 110604794) is N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide?
The InChIKey is YNLRWAHGZBIDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-3-20-14-4-6-15(7-5-14)21(18,19)17-13-9-11(2)8-12(16)10-13/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide?
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.96, 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-methylphenyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 110604794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).