2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide

C15H15Br2NO4S — CID 46902209

IUPAC2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15Br2NO4S/c1-21-12-5-3-10(14(8-12)22-2)9-18-23(19,20)15-7-11(16)4-6-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyFDUAUOGNBWLPOY-UHFFFAOYSA-N
MW465.16 g/mol
LogP3.71
Rot. Bonds6

About 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide

2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 46902209) has the molecular formula C15H15Br2NO4S and a molecular weight of 465.16 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID46902209
Molecular FormulaC15H15Br2NO4S
Molecular Weight465.16 g/mol
Exact Mass462.91
IUPAC Name2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)c(OC)c1
InChIInChI=1S/C15H15Br2NO4S/c1-21-12-5-3-10(14(8-12)22-2)9-18-23(19,20)15-7-11(16)4-6-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyFDUAUOGNBWLPOY-UHFFFAOYSA-N
XLogP3.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.16
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide (CID 46902209) is 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)c(OC)c1.
What is the InChIKey of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is FDUAUOGNBWLPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO4S/c1-21-12-5-3-10(14(8-12)22-2)9-18-23(19,20)15-7-11(16)4-6-13(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide?
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 465.16 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46902209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).