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

C12H16FNO3S — CID 43577627

IUPACN-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C12H16FNO3S/c1-9-8-10(13)2-5-12(9)18(16,17)14(6-7-15)11-3-4-11/h2,5,8,11,15H,3-4,6-7H2,1H3
InChIKeyWESIGFJEAZDNRK-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds5

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

N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 43577627) 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)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID43577627
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C12H16FNO3S/c1-9-8-10(13)2-5-12(9)18(16,17)14(6-7-15)11-3-4-11/h2,5,8,11,15H,3-4,6-7H2,1H3
InChIKeyWESIGFJEAZDNRK-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)-2-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
N-(2-bromoethyl)-N-cyclobutyl-4-fluoro-2-methylbenzenesulfonamide
CID 102873544
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327564
N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716203
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 91662378
N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 80667040
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 43577627) is N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is WESIGFJEAZDNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-8-10(13)2-5-12(9)18(16,17)14(6-7-15)11-3-4-11/h2,5,8,11,15H,3-4,6-7H2,1H3.
What are the key properties of N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-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)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43577627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).