N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide

C13H19FN2O2S — CID 116652221

IUPACN-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C13H19FN2O2S/c1-9-7-11(14)5-6-13(9)19(17,18)16(2)12(8-15)10-3-4-10/h5-7,10,12H,3-4,8,15H2,1-2H3
InChIKeyQBVUMUZPMJYPIF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.49
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide (PubChem CID 116652221) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
PubChem CID116652221
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C13H19FN2O2S/c1-9-7-11(14)5-6-13(9)19(17,18)16(2)12(8-15)10-3-4-10/h5-7,10,12H,3-4,8,15H2,1-2H3
InChIKeyQBVUMUZPMJYPIF-UHFFFAOYSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 116652152
N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 116652197
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
CID 116652294
N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
CID 114795586
N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
CID 116651780
N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 116652179
N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 116652129
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 62008245
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide (CID 116652221) is N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(C)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
The InChIKey is QBVUMUZPMJYPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-7-11(14)5-6-13(9)19(17,18)16(2)12(8-15)10-3-4-10/h5-7,10,12H,3-4,8,15H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 116652221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).