3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine

C12H15ClFNO3S — CID 64676318

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO3S/c1-15-11-4-5-18-7-12(11)19(16,17)8-2-3-10(14)9(13)6-8/h2-3,6,11-12,15H,4-5,7H2,1H3
InChIKeyYLFPYEDWIZOALS-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.63
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine

3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine (PubChem CID 64676318) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine
PubChem CID64676318
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO3S/c1-15-11-4-5-18-7-12(11)19(16,17)8-2-3-10(14)9(13)6-8/h2-3,6,11-12,15H,4-5,7H2,1H3
InChIKeyYLFPYEDWIZOALS-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine (CID 64676318) is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine is CNC1CCOCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
The InChIKey is YLFPYEDWIZOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-15-11-4-5-18-7-12(11)19(16,17)8-2-3-10(14)9(13)6-8/h2-3,6,11-12,15H,4-5,7H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine has a molecular weight of 307.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methyloxan-4-amine is sourced from PubChem (CID 64676318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).