N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H23FN2O2S — CID 107325936

IUPACN-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-8-13(16)9-12(2)14(11)21(19,20)18-15(10-17)6-4-3-5-7-15/h8-9,18H,3-7,10,17H2,1-2H3
InChIKeyAFKVBSMYIKQADH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107325936) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107325936
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-8-13(16)9-12(2)14(11)21(19,20)18-15(10-17)6-4-3-5-7-15/h8-9,18H,3-7,10,17H2,1-2H3
InChIKeyAFKVBSMYIKQADH-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Trimethyl-N-phenethyl-1-benzenesulfonamide
CID 3109779
2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
2,4,6-Trimethyl-N-[(1S)-1-methyl-3-phenylpropyl]benzenesulfonamide
CID 7275458
2,4,6-trimethyl-N-[1-(3-methylphenyl)butan-2-yl]benzenesulfonamide
CID 72725443
N-[1-(3,5-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725491
N-[1-(3,5-difluorophenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725492
4-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 24319582
N-dodecyl-2,4,6-trimethylbenzene-1-sulfonamide
CID 3700135
N-(2-aminoethyl)-3-fluoro-2-methylbenzene-1-sulfonamide
CID 75430985
N-(2-amino-2-methylpropyl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 75431036
N-(1-amino-2-methylpropan-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 75431088
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-methylbenzenesulfonamide
CID 75431090

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107325936) is N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is AFKVBSMYIKQADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-8-13(16)9-12(2)14(11)21(19,20)18-15(10-17)6-4-3-5-7-15/h8-9,18H,3-7,10,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107325936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).