3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide

C12H12ClFN2O2S2 — CID 61468700

IUPAC3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(N)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClFN2O2S2/c1-7(11-4-5-12(13)19-11)16-20(17,18)8-2-3-9(14)10(15)6-8/h2-7,16H,15H2,1H3
InChIKeyHKJDQBQMMNEFJF-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 61468700) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID61468700
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(N)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClFN2O2S2/c1-7(11-4-5-12(13)19-11)16-20(17,18)8-2-3-9(14)10(15)6-8/h2-7,16H,15H2,1H3
InChIKeyHKJDQBQMMNEFJF-UHFFFAOYSA-N
XLogP3.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 115421448
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
CID 61468769
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 55627830
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61193213
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 34154732
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 61468882
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46406758

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide (CID 61468700) is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(N)c1)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is HKJDQBQMMNEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c1-7(11-4-5-12(13)19-11)16-20(17,18)8-2-3-9(14)10(15)6-8/h2-7,16H,15H2,1H3.
What are the key properties of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61468700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).