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

C13H21FN2O2S — CID 80696702

IUPACN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-2-3-4-13(9-15)16-19(17,18)10-11-5-7-12(14)8-6-11/h5-8,13,16H,2-4,9-10,15H2,1H3
InChIKeyRPTIKQZXKHZMAI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 80696702) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID80696702
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2O2S/c1-2-3-4-13(9-15)16-19(17,18)10-11-5-7-12(14)8-6-11/h5-8,13,16H,2-4,9-10,15H2,1H3
InChIKeyRPTIKQZXKHZMAI-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 80697698
N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119993027
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
CID 119992937
1-amino-2-(sulfamoylamino)hexane
CID 114959420
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120712550
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
2-N-(4-fluorophenyl)nonane-1,2-diamine
CID 65378747
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide (CID 80696702) is N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide is CCCCC(CN)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is RPTIKQZXKHZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-2-3-4-13(9-15)16-19(17,18)10-11-5-7-12(14)8-6-11/h5-8,13,16H,2-4,9-10,15H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 80696702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).