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

C12H11Cl2FN2O2S2 — CID 106034935

IUPAC5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H11Cl2FN2O2S2/c13-9-5-7(16)6-10(12(9)15)21(18,19)17-4-3-8-1-2-11(14)20-8/h1-2,5-6,17H,3-4,16H2
InChIKeyWZAPILKAHHJFMB-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.30
Rot. Bonds5

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

5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 106034935) has the molecular formula C12H11Cl2FN2O2S2 and a molecular weight of 369.27 g/mol. Its IUPAC name is 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
PubChem CID106034935
Molecular FormulaC12H11Cl2FN2O2S2
Molecular Weight369.27 g/mol
Exact Mass367.96
IUPAC Name5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H11Cl2FN2O2S2/c13-9-5-7(16)6-10(12(9)15)21(18,19)17-4-3-8-1-2-11(14)20-8/h1-2,5-6,17H,3-4,16H2
InChIKeyWZAPILKAHHJFMB-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.30
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

5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide
CID 106035077
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891
5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333254
5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43258948
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
5-amino-3-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104155
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 106095152
5-amino-3-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62525023
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide (CID 106034935) is 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)NCCc2ccc(Cl)s2)c1.
What is the InChIKey of 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is WZAPILKAHHJFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN2O2S2/c13-9-5-7(16)6-10(12(9)15)21(18,19)17-4-3-8-1-2-11(14)20-8/h1-2,5-6,17H,3-4,16H2.
What are the key properties of 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 369.27 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106034935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).