4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C13H19FN2O2S — CID 79352947

IUPAC4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(N)cc2F)C1(C)C
InChIInChI=1S/C13H19FN2O2S/c1-12(2)11(13(12,3)4)16-19(17,18)10-6-5-8(15)7-9(10)14/h5-7,11,16H,15H2,1-4H3
InChIKeyKHLYPRVCXQWYEB-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.12
Rot. Bonds3

About 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79352947) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79352947
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(N)cc2F)C1(C)C
InChIInChI=1S/C13H19FN2O2S/c1-12(2)11(13(12,3)4)16-19(17,18)10-6-5-8(15)7-9(10)14/h5-7,11,16H,15H2,1-4H3
InChIKeyKHLYPRVCXQWYEB-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79361701
2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79356703
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
2-(aminomethyl)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357983
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894
4-amino-2-fluorobenzenesulfonyl fluoride
CID 122164176
2-fluoro-5-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79359868
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79352947) is 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CC1(C)C(NS(=O)(=O)c2ccc(N)cc2F)C1(C)C.
What is the InChIKey of 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is KHLYPRVCXQWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-12(2)11(13(12,3)4)16-19(17,18)10-6-5-8(15)7-9(10)14/h5-7,11,16H,15H2,1-4H3.
What are the key properties of 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79352947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).