N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide

C11H17FN2O2S — CID 65194114

IUPACN-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCCC(CN)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-2-11(7-13)14-17(15,16)8-9-3-5-10(12)6-4-9/h3-6,11,14H,2,7-8,13H2,1H3
InChIKeyDBBFZXSLKDFXGC-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.98
Rot. Bonds6

About N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide

N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 65194114) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID65194114
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCCC(CN)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-2-11(7-13)14-17(15,16)8-9-3-5-10(12)6-4-9/h3-6,11,14H,2,7-8,13H2,1H3
InChIKeyDBBFZXSLKDFXGC-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 80696702
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106083889
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
1-(4-nitrophenyl)-N-pentan-3-ylmethanesulfonamide
CID 47164690
N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 100648391
N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 80697698
methyl 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoate
CID 43410348
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide (CID 65194114) is N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide is CCC(CN)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is DBBFZXSLKDFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-2-11(7-13)14-17(15,16)8-9-3-5-10(12)6-4-9/h3-6,11,14H,2,7-8,13H2,1H3.
What are the key properties of N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 65194114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).