2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide

C14H13Br2NO3S — CID 61062492

IUPAC2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H13Br2NO3S/c1-2-20-12-5-3-4-11(9-12)17-21(18,19)14-7-6-10(15)8-13(14)16/h3-9,17H,2H2,1H3
InChIKeyHKNVGZBJJZBXMB-UHFFFAOYSA-N
MW435.14 g/mol
LogP4.41
Rot. Bonds5

About 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide

2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide (PubChem CID 61062492) has the molecular formula C14H13Br2NO3S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
PubChem CID61062492
Molecular FormulaC14H13Br2NO3S
Molecular Weight435.14 g/mol
Exact Mass432.90
IUPAC Name2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H13Br2NO3S/c1-2-20-12-5-3-4-11(9-12)17-21(18,19)14-7-6-10(15)8-13(14)16/h3-9,17H,2H2,1H3
InChIKeyHKNVGZBJJZBXMB-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 61126103
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7510434
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106467435

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide (CID 61062492) is 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide?
The InChIKey is HKNVGZBJJZBXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3S/c1-2-20-12-5-3-4-11(9-12)17-21(18,19)14-7-6-10(15)8-13(14)16/h3-9,17H,2H2,1H3.
What are the key properties of 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide?
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 61062492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).