3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide

C11H9Cl2FN2O2S2 — CID 103051563

IUPAC3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2ccc(Cl)s2)c1F
InChIInChI=1S/C11H9Cl2FN2O2S2/c12-6-3-8(15)11(14)9(4-6)20(17,18)16-5-7-1-2-10(13)19-7/h1-4,16H,5,15H2
InChIKeyCUWYHCLOJSMZFV-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.25
Rot. Bonds4

About 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 103051563) has the molecular formula C11H9Cl2FN2O2S2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID103051563
Molecular FormulaC11H9Cl2FN2O2S2
Molecular Weight355.24 g/mol
Exact Mass353.95
IUPAC Name3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2ccc(Cl)s2)c1F
InChIInChI=1S/C11H9Cl2FN2O2S2/c12-6-3-8(15)11(14)9(4-6)20(17,18)16-5-7-1-2-10(13)19-7/h1-4,16H,5,15H2
InChIKeyCUWYHCLOJSMZFV-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.25
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-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106379297
3-amino-5-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103051432
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82878613
2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 55029578
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 114625759
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920827
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
4-chloro-3-[(5-chlorothiophen-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80695861
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79180054

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide (CID 103051563) is 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCc2ccc(Cl)s2)c1F.
What is the InChIKey of 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is CUWYHCLOJSMZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O2S2/c12-6-3-8(15)11(14)9(4-6)20(17,18)16-5-7-1-2-10(13)19-7/h1-4,16H,5,15H2.
What are the key properties of 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 355.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103051563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).