3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide

C11H11ClFN3O4S — CID 103051710

IUPAC3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCC(=O)NC2=O)c1F
InChIInChI=1S/C11H11ClFN3O4S/c12-5-3-6(14)10(13)8(4-5)21(19,20)16-7-1-2-9(17)15-11(7)18/h3-4,7,16H,1-2,14H2,(H,15,17,18)
InChIKeyHYAYXDDRDVEZDM-UHFFFAOYSA-N
MW335.74 g/mol
LogP0.14
Rot. Bonds3

About 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 103051710) has the molecular formula C11H11ClFN3O4S and a molecular weight of 335.74 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide
PubChem CID103051710
Molecular FormulaC11H11ClFN3O4S
Molecular Weight335.74 g/mol
Exact Mass335.01
IUPAC Name3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCC(=O)NC2=O)c1F
InChIInChI=1S/C11H11ClFN3O4S/c12-5-3-6(14)10(13)8(4-5)21(19,20)16-7-1-2-9(17)15-11(7)18/h3-4,7,16H,1-2,14H2,(H,15,17,18)
InChIKeyHYAYXDDRDVEZDM-UHFFFAOYSA-N
XLogP0.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-Amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide
CID 43257089
4-(5-Amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
CID 43257199
1-(5-Amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 43257287
1-[4-(5-Amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 43257626
1-(5-Amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 43257959
1-(5-Amino-3-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258624
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 43310325
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310750
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374777
2-[(5-Amino-3-chloro-2-fluorophenyl)sulfonylamino]propanamide
CID 43545247
N-[2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 43552687
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 43566779

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide (CID 103051710) is 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NC2CCC(=O)NC2=O)c1F.
What is the InChIKey of 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is HYAYXDDRDVEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O4S/c12-5-3-6(14)10(13)8(4-5)21(19,20)16-7-1-2-9(17)15-11(7)18/h3-4,7,16H,1-2,14H2,(H,15,17,18).
What are the key properties of 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 335.74 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103051710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).