2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide

C13H9Br2F2NO3S — CID 26980608

IUPAC2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H9Br2F2NO3S/c14-8-1-6-11(15)12(7-8)22(19,20)18-9-2-4-10(5-3-9)21-13(16)17/h1-7,13,18H
InChIKeyPPMDRWFCHVIERQ-UHFFFAOYSA-N
MW457.09 g/mol
LogP4.61
Rot. Bonds5

About 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide

2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 26980608) has the molecular formula C13H9Br2F2NO3S and a molecular weight of 457.09 g/mol. Its IUPAC name is 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide
PubChem CID26980608
Molecular FormulaC13H9Br2F2NO3S
Molecular Weight457.09 g/mol
Exact Mass454.86
IUPAC Name2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H9Br2F2NO3S/c14-8-1-6-11(15)12(7-8)22(19,20)18-9-2-4-10(5-3-9)21-13(16)17/h1-7,13,18H
InChIKeyPPMDRWFCHVIERQ-UHFFFAOYSA-N
XLogP4.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.09
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
4-bromo-N-(4-propan-2-yloxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3442411
2-(2,5-dibromophenyl)sulfonyl-3-[4-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 3606233
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
4-amino-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61299189
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 106267245
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
(Z)-3-[2,4-bis(difluoromethoxy)phenyl]-2-(2,5-dibromophenyl)sulfonylprop-2-enenitrile
CID 2416762

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide (CID 26980608) is 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is PPMDRWFCHVIERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2NO3S/c14-8-1-6-11(15)12(7-8)22(19,20)18-9-2-4-10(5-3-9)21-13(16)17/h1-7,13,18H.
What are the key properties of 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide?
2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 457.09 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 26980608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).