2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide

C11H17FN2O2S — CID 76332111

IUPAC2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESCN(C)CCS(=O)(=O)NCC1=CC=C(C=C1)F
InChIInChI=1S/C11H17FN2O2S/c1-14(2)7-8-17(15,16)13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyPJUDWXMWJLVAIT-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.00
Rot. Bonds6

About 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide

2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 76332111) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
PubChem CID76332111
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESCN(C)CCS(=O)(=O)NCC1=CC=C(C=C1)F
InChIInChI=1S/C11H17FN2O2S/c1-14(2)7-8-17(15,16)13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyPJUDWXMWJLVAIT-UHFFFAOYSA-N
XLogP1.00
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity306

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide (CID 76332111) is 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide is CN(C)CCS(=O)(=O)NCC1=CC=C(C=C1)F.
What is the InChIKey of 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is PJUDWXMWJLVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-14(2)7-8-17(15,16)13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(4-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 76332111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).