4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide

C20H18BrNO3S — CID 25035913

IUPAC4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C20H18BrNO3S/c1-14-11-15(2)13-17(12-14)22-26(23,24)20-9-7-19(8-10-20)25-18-5-3-16(21)4-6-18/h3-13,22H,1-2H3
InChIKeyYDFOOPNSZLZPDX-UHFFFAOYSA-N
MW432.34 g/mol
LogP5.66
Rot. Bonds5

About 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide

4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 25035913) has the molecular formula C20H18BrNO3S and a molecular weight of 432.34 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
PubChem CID25035913
Molecular FormulaC20H18BrNO3S
Molecular Weight432.34 g/mol
Exact Mass431.02
IUPAC Name4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C20H18BrNO3S/c1-14-11-15(2)13-17(12-14)22-26(23,24)20-9-7-19(8-10-20)25-18-5-3-16(21)4-6-18/h3-13,22H,1-2H3
InChIKeyYDFOOPNSZLZPDX-UHFFFAOYSA-N
XLogP5.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.34
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
4-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]benzenesulfonamide
CID 169371299
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide (CID 25035913) is 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)c1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is YDFOOPNSZLZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3S/c1-14-11-15(2)13-17(12-14)22-26(23,24)20-9-7-19(8-10-20)25-18-5-3-16(21)4-6-18/h3-13,22H,1-2H3.
What are the key properties of 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide?
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 432.34 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 25035913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).