2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride

C8H10FNO3S2 — CID 165459973

IUPAC2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride
SMILESCS(C)(=O)=Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H10FNO3S2/c1-14(2,11)10-7-5-3-4-6-8(7)15(9,12)13/h3-6H,1-2H3
InChIKeyRWQFWXVQJFFYJV-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.70
Rot. Bonds2

About 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride

2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride (PubChem CID 165459973) has the molecular formula C8H10FNO3S2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride
PubChem CID165459973
Molecular FormulaC8H10FNO3S2
Molecular Weight251.30 g/mol
Exact Mass251.01
IUPAC Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride
SMILESCS(C)(=O)=Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H10FNO3S2/c1-14(2,11)10-7-5-3-4-6-8(7)15(9,12)13/h3-6H,1-2H3
InChIKeyRWQFWXVQJFFYJV-UHFFFAOYSA-N
XLogP1.70
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzoic acid
CID 125454343
1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone
CID 170428458
(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
CID 125424706
methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate
CID 166663337
2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride
CID 146167636
1-(benzenesulfonyl)-2-nitrosobenzene
CID 24977548
3-amino-2-ethylbenzenesulfonyl fluoride;hydrochloride
CID 87648662
N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine
CID 54275662
(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane
CID 125454990
(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
CID 125449498
benzene;methanesulfonyl fluoride
CID 157433018
1-azido-2-(2-azidophenyl)sulfonylbenzene
CID 86105222

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride (CID 165459973) is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride is CS(C)(=O)=Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride?
The InChIKey is RWQFWXVQJFFYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S2/c1-14(2,11)10-7-5-3-4-6-8(7)15(9,12)13/h3-6H,1-2H3.
What are the key properties of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride?
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride has a molecular weight of 251.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]benzenesulfonyl fluoride is sourced from PubChem (CID 165459973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).