N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

C12H16FNO3S — CID 71695468

IUPACN-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CCO)C2CC2)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-9-8-11(4-5-12(9)13)18(16,17)14(6-7-15)10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyGRCWOAAMBNCKJZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds5

About N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (PubChem CID 71695468) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
PubChem CID71695468
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CCO)C2CC2)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-9-8-11(4-5-12(9)13)18(16,17)14(6-7-15)10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyGRCWOAAMBNCKJZ-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (CID 71695468) is N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(CCO)C2CC2)ccc1F.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is GRCWOAAMBNCKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-8-11(4-5-12(9)13)18(16,17)14(6-7-15)10-2-3-10/h4-5,8,10,15H,2-3,6-7H2,1H3.
What are the key properties of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 71695468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).