[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid

C8H7F2NO3S — CID 134499941

IUPAC[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid
SMILESCS(=O)(=NC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C8H7F2NO3S/c1-15(14,11-8(12)13)7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,12,13)
InChIKeySFSHIQKUCLAQBF-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.10
Rot. Bonds1

About [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid

[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid (PubChem CID 134499941) has the molecular formula C8H7F2NO3S and a molecular weight of 235.21 g/mol. Its IUPAC name is [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid.

Molecular Properties

Compound Name[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid
PubChem CID134499941
Molecular FormulaC8H7F2NO3S
Molecular Weight235.21 g/mol
Exact Mass235.01
IUPAC Name[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid
SMILESCS(=O)(=NC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C8H7F2NO3S/c1-15(14,11-8(12)13)7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,12,13)
InChIKeySFSHIQKUCLAQBF-UHFFFAOYSA-N
XLogP2.10
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamate
CID 134489707
2,6-difluorobenzenesulfonic acid
CID 14766952
3-(3-fluoro-2-methylsulfonylphenyl)-3-methylbutanoic acid
CID 117438209
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
CID 8501038
tert-butyl N-[(2-fluoro-6-piperazin-1-ylphenyl)-methyl-oxo-λ6-sulfanylidene]carbamate
CID 140869980
N-(2-fluoro-6-methylsulfonylphenyl)-N-methylacetamide
CID 118224639
2-acetyl-6-fluorobenzenesulfonamide
CID 130511417
2,6-difluorobenzenesulfonate
CID 22057225
2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
CID 61007874
1-(bromomethyl)-3-fluoro-2-methylsulfonylbenzene
CID 66878494
[(2,6-difluorophenyl)sulfonylamino]urea
CID 140574542

Frequently Asked Questions

What is the IUPAC name of [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid?
The IUPAC name of [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid (CID 134499941) is [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid.
What is the SMILES notation for [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid?
The canonical SMILES for [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid is CS(=O)(=NC(=O)O)c1c(F)cccc1F.
What is the InChIKey of [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid?
The InChIKey is SFSHIQKUCLAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3S/c1-15(14,11-8(12)13)7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,12,13).
What are the key properties of [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid?
[(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid has a molecular weight of 235.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-difluorophenyl)-methyl-oxo-λ6-sulfanylidene]carbamic acid is sourced from PubChem (CID 134499941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).