4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

C12H19FN2O2S — CID 62640402

IUPAC4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N(C)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-10(2)15(3)9-8-14-18(16,17)12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyRBHNQWNWUAUAKX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.44
Rot. Bonds6

About 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 62640402) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID62640402
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N(C)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-10(2)15(3)9-8-14-18(16,17)12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3
InChIKeyRBHNQWNWUAUAKX-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
4-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640361
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053214
3-(aminomethyl)-4-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055705
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (CID 62640402) is 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is CC(C)N(C)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is RBHNQWNWUAUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-10(2)15(3)9-8-14-18(16,17)12-6-4-11(13)5-7-12/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62640402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).