N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide

C9H8Br2FNO2S — CID 135186418

IUPACN-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)ccc1C=C(Br)Br
InChIInChI=1S/C9H8Br2FNO2S/c1-16(14,15)13-8-5-7(12)3-2-6(8)4-9(10)11/h2-5,13H,1H3
InChIKeyQLYYXJLYNDOPEU-UHFFFAOYSA-N
MW373.04 g/mol
LogP3.29
Rot. Bonds3

About N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide

N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide (PubChem CID 135186418) has the molecular formula C9H8Br2FNO2S and a molecular weight of 373.04 g/mol. Its IUPAC name is N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide
PubChem CID135186418
Molecular FormulaC9H8Br2FNO2S
Molecular Weight373.04 g/mol
Exact Mass370.86
IUPAC NameN-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)ccc1C=C(Br)Br
InChIInChI=1S/C9H8Br2FNO2S/c1-16(14,15)13-8-5-7(12)3-2-6(8)4-9(10)11/h2-5,13H,1H3
InChIKeyQLYYXJLYNDOPEU-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene
CID 130531997
1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
N-[5-fluoro-2-(methanesulfonamido)phenyl]propanamide
CID 113093309
2-ethyl-N-[5-fluoro-2-(methanesulfonamido)phenyl]butanamide
CID 113093318
N-(4-fluoro-2-isocyanatophenyl)methanesulfonamide
CID 169352536
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-phenylacetamide
CID 113093344
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
ethyl (E)-3-[2-(2,2-dibromoethenyl)-5-fluorophenyl]prop-2-enoate
CID 102045662
2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977385
4-fluoro-2-[2-(methanesulfonamido)ethylcarbamoylamino]benzoic acid
CID 61202622

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide (CID 135186418) is N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(F)ccc1C=C(Br)Br.
What is the InChIKey of N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide?
The InChIKey is QLYYXJLYNDOPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2FNO2S/c1-16(14,15)13-8-5-7(12)3-2-6(8)4-9(10)11/h2-5,13H,1H3.
What are the key properties of N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide?
N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide has a molecular weight of 373.04 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dibromoethenyl)-5-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 135186418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).