N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C12H19FN2O2S — CID 54973798

IUPACN-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-10(2)14-7-8-18(16,17)15-9-11-3-5-12(13)6-4-11/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyYLNKWYJMSZXUCM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.24
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54973798) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54973798
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-10(2)14-7-8-18(16,17)15-9-11-3-5-12(13)6-4-11/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyYLNKWYJMSZXUCM-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973547
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide
CID 146075739
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 94689041
N-[(2,4-difluorophenyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106055191
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 103293007
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 54973798) is N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is YLNKWYJMSZXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-10(2)14-7-8-18(16,17)15-9-11-3-5-12(13)6-4-11/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54973798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).