3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C14H21FN2O3S — CID 114625905

IUPAC3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-13(2)12(14(13,3)4)17-21(18,19)8-6-9(15)11(20-5)10(16)7-8/h6-7,12,17H,16H2,1-5H3
InChIKeyHNXBPFGVODZCHG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 114625905) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID114625905
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-13(2)12(14(13,3)4)17-21(18,19)8-6-9(15)11(20-5)10(16)7-8/h6-7,12,17H,16H2,1-5H3
InChIKeyHNXBPFGVODZCHG-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 114625905) is 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is COc1c(N)cc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is HNXBPFGVODZCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-13(2)12(14(13,3)4)17-21(18,19)8-6-9(15)11(20-5)10(16)7-8/h6-7,12,17H,16H2,1-5H3.
What are the key properties of 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 114625905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).