2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide

C14H13Br2NO3S — CID 61061862

IUPAC2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)c(C)c1O
InChIInChI=1S/C14H13Br2NO3S/c1-8-3-5-12(9(2)14(8)18)17-21(19,20)13-6-4-10(15)7-11(13)16/h3-7,17-18H,1-2H3
InChIKeySZRKKMGJLCBHRQ-UHFFFAOYSA-N
MW435.14 g/mol
LogP4.33
Rot. Bonds3

About 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide

2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide (PubChem CID 61061862) has the molecular formula C14H13Br2NO3S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
PubChem CID61061862
Molecular FormulaC14H13Br2NO3S
Molecular Weight435.14 g/mol
Exact Mass432.90
IUPAC Name2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)c(C)c1O
InChIInChI=1S/C14H13Br2NO3S/c1-8-3-5-12(9(2)14(8)18)17-21(19,20)13-6-4-10(15)7-11(13)16/h3-7,17-18H,1-2H3
InChIKeySZRKKMGJLCBHRQ-UHFFFAOYSA-N
XLogP4.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide (CID 61061862) is 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)c(C)c1O.
What is the InChIKey of 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is SZRKKMGJLCBHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3S/c1-8-3-5-12(9(2)14(8)18)17-21(19,20)13-6-4-10(15)7-11(13)16/h3-7,17-18H,1-2H3.
What are the key properties of 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide?
2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 61061862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).