2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide

C13H10Br2FNO3S — CID 114840621

IUPAC2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1F
InChIInChI=1S/C13H10Br2FNO3S/c1-20-12-7-9(3-4-11(12)16)17-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,17H,1H3
InChIKeyDNWHLEIYDRQDBX-UHFFFAOYSA-N
MW439.10 g/mol
LogP4.16
Rot. Bonds4

About 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide

2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide (PubChem CID 114840621) has the molecular formula C13H10Br2FNO3S and a molecular weight of 439.10 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
PubChem CID114840621
Molecular FormulaC13H10Br2FNO3S
Molecular Weight439.10 g/mol
Exact Mass436.87
IUPAC Name2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1F
InChIInChI=1S/C13H10Br2FNO3S/c1-20-12-7-9(3-4-11(12)16)17-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,17H,1H3
InChIKeyDNWHLEIYDRQDBX-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.10
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide
CID 114840106
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 30668145
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide (CID 114840621) is 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1F.
What is the InChIKey of 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The InChIKey is DNWHLEIYDRQDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO3S/c1-20-12-7-9(3-4-11(12)16)17-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,17H,1H3.
What are the key properties of 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide has a molecular weight of 439.10 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 114840621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).