[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride

C9H13ClF2N2O2S — CID 139260212

IUPAC[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride
SMILESC[C@@H]([NH3+])c1cc(F)c(NS(C)(=O)=O)c(F)c1.[Cl-]
InChIInChI=1S/C9H12F2N2O2S.ClH/c1-5(12)6-3-7(10)9(8(11)4-6)13-16(2,14)15;/h3-5,13H,12H2,1-2H3;1H/t5-;/m1./s1
InChIKeyXGTMJUVUJJEZAD-NUBCRITNSA-N
MW286.73 g/mol
LogP-2.36
Rot. Bonds3

About [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride

[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride (PubChem CID 139260212) has the molecular formula C9H13ClF2N2O2S and a molecular weight of 286.73 g/mol. Its IUPAC name is [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride.

Molecular Properties

Compound Name[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride
PubChem CID139260212
Molecular FormulaC9H13ClF2N2O2S
Molecular Weight286.73 g/mol
Exact Mass286.04
IUPAC Name[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride
SMILESC[C@@H]([NH3+])c1cc(F)c(NS(C)(=O)=O)c(F)c1.[Cl-]
InChIInChI=1S/C9H12F2N2O2S.ClH/c1-5(12)6-3-7(10)9(8(11)4-6)13-16(2,14)15;/h3-5,13H,12H2,1-2H3;1H/t5-;/m1./s1
InChIKeyXGTMJUVUJJEZAD-NUBCRITNSA-N
XLogP-2.36
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S)-1-aminoethyl]-2,6-difluorophenyl]methanesulfonamide;hydrochloride
CID 131637134
2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
CID 140559120
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-propan-2-ylquinoline-6-carboxamide
CID 74387260
3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
CID 90774689
N-[4-(1-aminopropyl)-2,3,6-trifluorophenyl]methanesulfonamide
CID 87573655
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
2-cyclopropyl-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]quinoline-6-carboxamide
CID 74387381
N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide
CID 67244741
3-fluoro-4-(methanesulfonamido)-5-methylbenzamide
CID 91006628
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2,6-dipropyl-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 66855330
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 66978035
trans-(1S,2S)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 66555470

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride?
The IUPAC name of [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride (CID 139260212) is [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride.
What is the SMILES notation for [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride?
The canonical SMILES for [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride is C[C@@H]([NH3+])c1cc(F)c(NS(C)(=O)=O)c(F)c1.[Cl-].
What is the InChIKey of [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride?
The InChIKey is XGTMJUVUJJEZAD-NUBCRITNSA-N. The full InChI is InChI=1S/C9H12F2N2O2S.ClH/c1-5(12)6-3-7(10)9(8(11)4-6)13-16(2,14)15;/h3-5,13H,12H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride?
[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride has a molecular weight of 286.73 g/mol, XLogP of -2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]azanium chloride is sourced from PubChem (CID 139260212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).