5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C14H21FN2O3S — CID 79900710

IUPAC5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C14H21FN2O3S/c1-3-17(9-12-5-4-6-20-12)21(18,19)14-8-11(16)7-13(15)10(14)2/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyDSBZCSRTFVFUCX-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.91
Rot. Bonds5

About 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 79900710) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID79900710
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C14H21FN2O3S/c1-3-17(9-12-5-4-6-20-12)21(18,19)14-8-11(16)7-13(15)10(14)2/h7-8,12H,3-6,9,16H2,1-2H3
InChIKeyDSBZCSRTFVFUCX-UHFFFAOYSA-N
XLogP1.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
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 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 79900710) is 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is DSBZCSRTFVFUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-17(9-12-5-4-6-20-12)21(18,19)14-8-11(16)7-13(15)10(14)2/h7-8,12H,3-6,9,16H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-3-fluoro-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79900710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).