5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

C13H18F2N2O2S — CID 65022410

IUPAC5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2cc(N)cc(F)c2F)CCCC1
InChIInChI=1S/C13H18F2N2O2S/c1-13(4-2-3-5-13)8-17-20(18,19)11-7-9(16)6-10(14)12(11)15/h6-7,17H,2-5,8,16H2,1H3
InChIKeyUAHIVIQNHRIBKG-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.41
Rot. Bonds4

About 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 65022410) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID65022410
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2cc(N)cc(F)c2F)CCCC1
InChIInChI=1S/C13H18F2N2O2S/c1-13(4-2-3-5-13)8-17-20(18,19)11-7-9(16)6-10(14)12(11)15/h6-7,17H,2-5,8,16H2,1H3
InChIKeyUAHIVIQNHRIBKG-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (CID 65022410) is 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2cc(N)cc(F)c2F)CCCC1.
What is the InChIKey of 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is UAHIVIQNHRIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-13(4-2-3-5-13)8-17-20(18,19)11-7-9(16)6-10(14)12(11)15/h6-7,17H,2-5,8,16H2,1H3.
What are the key properties of 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65022410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).