(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane

C10H11BrFNOS — CID 135227105

IUPAC(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC1CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNOS/c11-9-5-8(3-4-10(9)12)15(13,14)6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyFSXGGGGFPJAJDL-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.40
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane

(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane (PubChem CID 135227105) has the molecular formula C10H11BrFNOS and a molecular weight of 292.17 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane
PubChem CID135227105
Molecular FormulaC10H11BrFNOS
Molecular Weight292.17 g/mol
Exact Mass290.97
IUPAC Name(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC1CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNOS/c11-9-5-8(3-4-10(9)12)15(13,14)6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyFSXGGGGFPJAJDL-UHFFFAOYSA-N
XLogP3.40
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
(3-bromo-4-fluorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 135226829
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
1-[(3-bromo-4-fluorophenyl)sulfonimidoyl]cyclopropane-1-carbonitrile
CID 135226885
3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 104779838
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 106491819
N-(3-aminobutyl)-3-bromo-4-fluorobenzenesulfonamide
CID 119972812
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane?
The IUPAC name of (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane (CID 135227105) is (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC1CC1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane?
The InChIKey is FSXGGGGFPJAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNOS/c11-9-5-8(3-4-10(9)12)15(13,14)6-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane?
(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane has a molecular weight of 292.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 135227105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).