[3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride

C8H12ClFN2O2S — CID 139260214

IUPAC[3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride
SMILESCS(=O)(=O)Nc1ccc(C[NH3+])cc1F.[Cl-]
InChIInChI=1S/C8H11FN2O2S.ClH/c1-14(12,13)11-8-3-2-6(5-10)4-7(8)9;/h2-4,11H,5,10H2,1H3;1H
InChIKeyCVCVZXAEBWRRHY-UHFFFAOYSA-N
MW254.71 g/mol
LogP-3.06
Rot. Bonds3

About [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride

[3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride (PubChem CID 139260214) has the molecular formula C8H12ClFN2O2S and a molecular weight of 254.71 g/mol. Its IUPAC name is [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride.

Molecular Properties

Compound Name[3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride
PubChem CID139260214
Molecular FormulaC8H12ClFN2O2S
Molecular Weight254.71 g/mol
Exact Mass254.03
IUPAC Name[3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride
SMILESCS(=O)(=O)Nc1ccc(C[NH3+])cc1F.[Cl-]
InChIInChI=1S/C8H11FN2O2S.ClH/c1-14(12,13)11-8-3-2-6(5-10)4-7(8)9;/h2-4,11H,5,10H2,1H3;1H
InChIKeyCVCVZXAEBWRRHY-UHFFFAOYSA-N
XLogP-3.06
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 5-3.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride?
The IUPAC name of [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride (CID 139260214) is [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride.
What is the SMILES notation for [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride?
The canonical SMILES for [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride is CS(=O)(=O)Nc1ccc(C[NH3+])cc1F.[Cl-].
What is the InChIKey of [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride?
The InChIKey is CVCVZXAEBWRRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S.ClH/c1-14(12,13)11-8-3-2-6(5-10)4-7(8)9;/h2-4,11H,5,10H2,1H3;1H.
What are the key properties of [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride?
[3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride has a molecular weight of 254.71 g/mol, XLogP of -3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(methanesulfonamido)phenyl]methylazanium chloride is sourced from PubChem (CID 139260214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).