N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide

C9H12ClFN2O2S — CID 62685889

IUPACN-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H12ClFN2O2S/c1-13(5-4-12)16(14,15)7-2-3-9(11)8(10)6-7/h2-3,6H,4-5,12H2,1H3
InChIKeyZWPAARNLILDZPJ-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.06
Rot. Bonds4

About N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide

N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 62685889) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
PubChem CID62685889
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.72 g/mol
Exact Mass266.03
IUPAC NameN-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H12ClFN2O2S/c1-13(5-4-12)16(14,15)7-2-3-9(11)8(10)6-7/h2-3,6H,4-5,12H2,1H3
InChIKeyZWPAARNLILDZPJ-UHFFFAOYSA-N
XLogP1.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-chloro-4-fluoro-N-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-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
N-(2-aminoethyl)-4-fluoro-N-methyl-3-nitrobenzenesulfonamide
CID 62687899
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 63287989
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide (CID 62685889) is N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide is CN(CCN)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is ZWPAARNLILDZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c1-13(5-4-12)16(14,15)7-2-3-9(11)8(10)6-7/h2-3,6H,4-5,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 266.72 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62685889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).