3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide

C14H24FN3O2S — CID 63322704

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C14H24FN3O2S/c1-11(2)10-18(6-5-17(3)4)21(19,20)14-8-12(15)7-13(16)9-14/h7-9,11H,5-6,10,16H2,1-4H3
InChIKeyNFQUFEPIEWMMBX-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.62
Rot. Bonds7

About 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide

3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 63322704) has the molecular formula C14H24FN3O2S and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID63322704
Molecular FormulaC14H24FN3O2S
Molecular Weight317.43 g/mol
Exact Mass317.16
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C14H24FN3O2S/c1-11(2)10-18(6-5-17(3)4)21(19,20)14-8-12(15)7-13(16)9-14/h7-9,11H,5-6,10,16H2,1-4H3
InChIKeyNFQUFEPIEWMMBX-UHFFFAOYSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322527
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82845498
3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide
CID 63322122
3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide
CID 63322173
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 113468559
3-[3-(dimethylamino)propylsulfonyl]-5-fluoroaniline
CID 114526905
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
3-amino-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 55205685
2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 61059512
3-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 63322234
2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 63322704) is 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(CCN(C)C)S(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is NFQUFEPIEWMMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2S/c1-11(2)10-18(6-5-17(3)4)21(19,20)14-8-12(15)7-13(16)9-14/h7-9,11H,5-6,10,16H2,1-4H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide?
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 63322704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).