5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C11H10ClFN2O2S2 — CID 43258948

IUPAC5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C11H10ClFN2O2S2/c12-9-4-7(14)5-10(11(9)13)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6,14H2
InChIKeyGJCCTTFGTLCNSQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.60
Rot. Bonds4

About 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 43258948) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID43258948
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC Name5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C11H10ClFN2O2S2/c12-9-4-7(14)5-10(11(9)13)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6,14H2
InChIKeyGJCCTTFGTLCNSQ-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide 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-amino-3-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62525023
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
5-amino-3-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104155
4-amino-2-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143223
5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333254
5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294823
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175671
2,6-difluoro-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43363772

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 43258948) is 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is GJCCTTFGTLCNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c12-9-4-7(14)5-10(11(9)13)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6,14H2.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43258948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).