5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide

C12H12ClFN2O2S2 — CID 107529035

IUPAC5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)s1
InChIInChI=1S/C12H12ClFN2O2S2/c13-10-3-1-8(14)7-11(10)16-20(17,18)12-4-2-9(19-12)5-6-15/h1-4,7,16H,5-6,15H2
InChIKeyZUWCRRTVCPGGQI-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.84
Rot. Bonds5

About 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 107529035) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
PubChem CID107529035
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)s1
InChIInChI=1S/C12H12ClFN2O2S2/c13-10-3-1-8(14)7-11(10)16-20(17,18)12-4-2-9(19-12)5-6-15/h1-4,7,16H,5-6,15H2
InChIKeyZUWCRRTVCPGGQI-UHFFFAOYSA-N
XLogP2.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide 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

5-(2-aminoethyl)-N-(2-bromo-5-fluorophenyl)thiophene-2-sulfonamide
CID 107626847
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29080256
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106029020
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
N-(2-chloro-5-fluorophenyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106088465
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide (CID 107529035) is 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is ZUWCRRTVCPGGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c13-10-3-1-8(14)7-11(10)16-20(17,18)12-4-2-9(19-12)5-6-15/h1-4,7,16H,5-6,15H2.
What are the key properties of 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 334.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107529035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).