(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane

C7H7F2NOS — CID 125424666

IUPAC(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1cc(F)ccc1F
InChIInChI=1S/C7H7F2NOS/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,10H,1H3/t12-/m0/s1
InChIKeyNCVMYQKRTYFNSP-LBPRGKRZSA-N
MW191.20 g/mol
LogP2.00
Rot. Bonds1

About (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane

(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 125424666) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID125424666
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC Name(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1cc(F)ccc1F
InChIInChI=1S/C7H7F2NOS/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,10H,1H3/t12-/m0/s1
InChIKeyNCVMYQKRTYFNSP-LBPRGKRZSA-N
XLogP2.00
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
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(3-bromo-4-fluorophenyl)-imino-methyl-oxo-λ6-sulfane
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2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
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2-(3-bromo-2-methylpropyl)sulfonyl-1,4-difluorobenzene
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1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane (CID 125424666) is (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is NCVMYQKRTYFNSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C7H7F2NOS/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,10H,1H3/t12-/m0/s1.
What are the key properties of (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane?
(2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 191.20 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 125424666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).