4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide

C16H18BrNO3S — CID 39845518

IUPAC4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1Br
InChIInChI=1S/C16H18BrNO3S/c1-4-21-16-10-13(6-7-14(16)17)22(19,20)18-15-8-5-11(2)9-12(15)3/h5-10,18H,4H2,1-3H3
InChIKeyKBVLWEMEQHXQIZ-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.27
Rot. Bonds5

About 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide

4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide (PubChem CID 39845518) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
PubChem CID39845518
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1Br
InChIInChI=1S/C16H18BrNO3S/c1-4-21-16-10-13(6-7-14(16)17)22(19,20)18-15-8-5-11(2)9-12(15)3/h5-10,18H,4H2,1-3H3
InChIKeyKBVLWEMEQHXQIZ-UHFFFAOYSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 47071432
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-ethoxybenzamide
CID 4926353
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide (CID 39845518) is 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1Br.
What is the InChIKey of 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide?
The InChIKey is KBVLWEMEQHXQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-4-21-16-10-13(6-7-14(16)17)22(19,20)18-15-8-5-11(2)9-12(15)3/h5-10,18H,4H2,1-3H3.
What are the key properties of 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide?
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide is sourced from PubChem (CID 39845518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).