4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene

C11H14F2N2O2S — CID 118607729

IUPAC4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
SMILESCN(C)S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O2S/c1-15(2)18(16,17)14-11-6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8,11,14H,6H2,1-2H3/t8-,11+/m0/s1
InChIKeyBZSRVNKLGVTJSI-GZMMTYOYSA-N
MW276.31 g/mol
LogP1.22
Rot. Bonds4

About 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene

4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene (PubChem CID 118607729) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
PubChem CID118607729
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
SMILESCN(C)S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O2S/c1-15(2)18(16,17)14-11-6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8,11,14H,6H2,1-2H3/t8-,11+/m0/s1
InChIKeyBZSRVNKLGVTJSI-GZMMTYOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene?
The IUPAC name of 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene (CID 118607729) is 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene is CN(C)S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene?
The InChIKey is BZSRVNKLGVTJSI-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-15(2)18(16,17)14-11-6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8,11,14H,6H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene?
4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene has a molecular weight of 276.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene is sourced from PubChem (CID 118607729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).