5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide

C11H14ClFN2O3S — CID 61111911

IUPAC5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCOCC2)c(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O3S/c12-8-5-9(13)10(14)6-11(8)19(16,17)15-7-1-3-18-4-2-7/h5-7,15H,1-4,14H2
InChIKeyHFEOENAZQKDYSQ-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.52
Rot. Bonds3

About 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 61111911) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
PubChem CID61111911
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCOCC2)c(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O3S/c12-8-5-9(13)10(14)6-11(8)19(16,17)15-7-1-3-18-4-2-7/h5-7,15H,1-4,14H2
InChIKeyHFEOENAZQKDYSQ-UHFFFAOYSA-N
XLogP1.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.52
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-2-chloro-N-(1,1-dioxothian-3-yl)-4-fluorobenzenesulfonamide
CID 63923877
5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62366150
5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64748607
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 61113212
5-amino-2-chloro-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63727471
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-2-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125686
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
4-(3-aminoprop-1-ynyl)-2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 60843632
3-amino-4-fluoro-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 115421285

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide (CID 61111911) is 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide is Nc1cc(S(=O)(=O)NC2CCOCC2)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is HFEOENAZQKDYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c12-8-5-9(13)10(14)6-11(8)19(16,17)15-7-1-3-18-4-2-7/h5-7,15H,1-4,14H2.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 308.76 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 61111911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).