4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide

C12H13ClF3NO3S — CID 84584707

IUPAC4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClF3NO3S/c13-9-1-3-10(4-2-9)21(18,19)17-11(12(14,15)16)5-7-20-8-6-11/h1-4,17H,5-8H2
InChIKeyUVERORFQLGVEKZ-UHFFFAOYSA-N
MW343.75 g/mol
LogP2.73
Rot. Bonds3

About 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide

4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide (PubChem CID 84584707) has the molecular formula C12H13ClF3NO3S and a molecular weight of 343.75 g/mol. Its IUPAC name is 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
PubChem CID84584707
Molecular FormulaC12H13ClF3NO3S
Molecular Weight343.75 g/mol
Exact Mass343.03
IUPAC Name4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClF3NO3S/c13-9-1-3-10(4-2-9)21(18,19)17-11(12(14,15)16)5-7-20-8-6-11/h1-4,17H,5-8H2
InChIKeyUVERORFQLGVEKZ-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide (CID 84584707) is 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide is O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
The InChIKey is UVERORFQLGVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO3S/c13-9-1-3-10(4-2-9)21(18,19)17-11(12(14,15)16)5-7-20-8-6-11/h1-4,17H,5-8H2.
What are the key properties of 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide has a molecular weight of 343.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 84584707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).