N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide

C13H19FN2O2S — CID 114632566

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C13H19FN2O2S/c1-8-4-5-9(14)6-10(8)19(17,18)16-12-7-11(15)13(12,2)3/h4-6,11-12,16H,7,15H2,1-3H3
InChIKeyXCRZFGLEAWBWAI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds3

About N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 114632566) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID114632566
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C13H19FN2O2S/c1-8-4-5-9(14)6-10(8)19(17,18)16-12-7-11(15)13(12,2)3/h4-6,11-12,16H,7,15H2,1-3H3
InChIKeyXCRZFGLEAWBWAI-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide
CID 167878417
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 114632554
N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide
CID 112823935
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 102639278
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide (CID 114632566) is N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC1CC(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is XCRZFGLEAWBWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-8-4-5-9(14)6-10(8)19(17,18)16-12-7-11(15)13(12,2)3/h4-6,11-12,16H,7,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 114632566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).