N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide

C7H7BrF5NO2S2 — CID 150627497

IUPACN-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Br)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H7BrF5NO2S2/c1-17(15,16)14-6-2-5(8)3-7(4-6)18(9,10,11,12)13/h2-4,14H,1H3
InChIKeyIXEVTOVBYBELLR-UHFFFAOYSA-N
MW376.17 g/mol
LogP4.48
Rot. Bonds3

About N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide

N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide (PubChem CID 150627497) has the molecular formula C7H7BrF5NO2S2 and a molecular weight of 376.17 g/mol. Its IUPAC name is N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide
PubChem CID150627497
Molecular FormulaC7H7BrF5NO2S2
Molecular Weight376.17 g/mol
Exact Mass374.90
IUPAC NameN-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Br)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H7BrF5NO2S2/c1-17(15,16)14-6-2-5(8)3-7(4-6)18(9,10,11,12)13/h2-4,14H,1H3
InChIKeyIXEVTOVBYBELLR-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-5-bromobenzene-1-sulfonyl fluoride
CID 137949483
N-(3-pentafluorosulfanylphenyl)methanesulfonamide
CID 59731058
3-Bromo-5-(pentafluorosulfur)aniline
CID 66523457
(3-Bromo-5-thionitrosophenyl)-pentafluoro-lambda6-sulfane
CID 118478899
N-(3-bromo-5-fluorophenyl)methanesulfonamide
CID 118573396
N-[3-bromo-5-(pentafluoro-lambda6-sulfanyl)phenyl]thiohydroxylamine
CID 140695542
3-Amino-5-bromo-4-fluorobenzenesulfonic acid
CID 168864870
5-amino-3-bromo-2-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65517718
5-amino-3-bromo-N-ethyl-2-fluoro-N-methylbenzenesulfonamide
CID 65517720
5-amino-3-bromo-N-(3,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 65517913
5-amino-3-bromo-2-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65518129
5-amino-3-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 65518311

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide (CID 150627497) is N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(Br)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
The InChIKey is IXEVTOVBYBELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF5NO2S2/c1-17(15,16)14-6-2-5(8)3-7(4-6)18(9,10,11,12)13/h2-4,14H,1H3.
What are the key properties of N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide?
N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide has a molecular weight of 376.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(pentafluoro-λ6-sulfanyl)phenyl]methanesulfonamide is sourced from PubChem (CID 150627497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).