N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H17FN2O2S — CID 54973547

IUPACN-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-9(2)13-7-8-17(15,16)14-11-5-3-10(12)4-6-11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyGCNVTOZVTZUELG-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.57
Rot. Bonds6

About N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54973547) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54973547
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-9(2)13-7-8-17(15,16)14-11-5-3-10(12)4-6-11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyGCNVTOZVTZUELG-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973798
N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114262255
N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 83079123
N,N'-bis(4-fluorophenyl)methanedisulfonamide
CID 90121489
N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 107595222
N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54974025
2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
CID 110601354
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973693
N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985
2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787333

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54973547) is N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is GCNVTOZVTZUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-9(2)13-7-8-17(15,16)14-11-5-3-10(12)4-6-11/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54973547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).