N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide

C14H21FN2O2S — CID 102639278

IUPACN-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)C1CCCCC1N
InChIInChI=1S/C14H21FN2O2S/c1-10-7-8-11(15)9-14(10)20(18,19)17(2)13-6-4-3-5-12(13)16/h7-9,12-13H,3-6,16H2,1-2H3
InChIKeyOYBOGNQBHDKNRW-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.02
Rot. Bonds3

About N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide

N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide (PubChem CID 102639278) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
PubChem CID102639278
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)C1CCCCC1N
InChIInChI=1S/C14H21FN2O2S/c1-10-7-8-11(15)9-14(10)20(18,19)17(2)13-6-4-3-5-12(13)16/h7-9,12-13H,3-6,16H2,1-2H3
InChIKeyOYBOGNQBHDKNRW-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287
N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
CID 102639357
N-(1,1-dioxothiolan-3-yl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 47190070
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 102638748
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
CID 114632566
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide (CID 102639278) is N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(C)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
The InChIKey is OYBOGNQBHDKNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10-7-8-11(15)9-14(10)20(18,19)17(2)13-6-4-3-5-12(13)16/h7-9,12-13H,3-6,16H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide?
N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 102639278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).