3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C11H13ClFN3O3S — CID 103051474

IUPAC3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCC(=O)NC2)c1F
InChIInChI=1S/C11H13ClFN3O3S/c12-6-3-8(14)11(13)9(4-6)20(18,19)16-7-1-2-10(17)15-5-7/h3-4,7,16H,1-2,5,14H2,(H,15,17)
InChIKeyNNZLHPGVOJHKNP-UHFFFAOYSA-N
MW321.76 g/mol
LogP0.62
Rot. Bonds3

About 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 103051474) has the molecular formula C11H13ClFN3O3S and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID103051474
Molecular FormulaC11H13ClFN3O3S
Molecular Weight321.76 g/mol
Exact Mass321.04
IUPAC Name3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCC(=O)NC2)c1F
InChIInChI=1S/C11H13ClFN3O3S/c12-6-3-8(14)11(13)9(4-6)20(18,19)16-7-1-2-10(17)15-5-7/h3-4,7,16H,1-2,5,14H2,(H,15,17)
InChIKeyNNZLHPGVOJHKNP-UHFFFAOYSA-N
XLogP0.62
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 121521726
(2S)-2-(3-chloro-4-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8483405
(2R)-2-(3-chloro-4-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8483406
N-(3-chloro-4-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 26417657
N-(5-chloro-2-fluorophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 39912349
3-Chloro-4-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256912
3-Chloro-4-fluoro-5-(4-methylpiperazin-1-yl)sulfonylaniline
CID 43256943
2-[(5-Amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide
CID 43257089
3-Chloro-4-fluoro-5-piperidin-1-ylsulfonylaniline
CID 43257174
4-(5-Amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
CID 43257199
1-(5-Amino-3-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 43257287
3-Chloro-4-fluoro-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 43257301

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 103051474) is 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NC2CCC(=O)NC2)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is NNZLHPGVOJHKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O3S/c12-6-3-8(14)11(13)9(4-6)20(18,19)16-7-1-2-10(17)15-5-7/h3-4,7,16H,1-2,5,14H2,(H,15,17).
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 321.76 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 103051474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).