N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide

C12H17FN2O2S — CID 116652152

IUPACN-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2S/c1-15(12(8-14)9-2-3-9)18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12H,2-3,8,14H2,1H3
InChIKeyPQWFYWCRTRSYIZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.18
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 116652152) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID116652152
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2S/c1-15(12(8-14)9-2-3-9)18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12H,2-3,8,14H2,1H3
InChIKeyPQWFYWCRTRSYIZ-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide (CID 116652152) is N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide is CN(C(CN)C1CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is PQWFYWCRTRSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-15(12(8-14)9-2-3-9)18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12H,2-3,8,14H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.18, 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-methylbenzenesulfonamide is sourced from PubChem (CID 116652152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).