2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

C14H13F3N2O5S2 — CID 4882132

IUPAC2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H13F3N2O5S2/c1-24-12-6-5-10(8-13(12)25(18,20)21)19-26(22,23)11-4-2-3-9(7-11)14(15,16)17/h2-8,19H,1H3,(H2,18,20,21)
InChIKeyDRERTPMBCWSZTM-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.16
Rot. Bonds5

About 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 4882132) has the molecular formula C14H13F3N2O5S2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID4882132
Molecular FormulaC14H13F3N2O5S2
Molecular Weight410.40 g/mol
Exact Mass410.02
IUPAC Name2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H13F3N2O5S2/c1-24-12-6-5-10(8-13(12)25(18,20)21)19-26(22,23)11-4-2-3-9(7-11)14(15,16)17/h2-8,19H,1H3,(H2,18,20,21)
InChIKeyDRERTPMBCWSZTM-UHFFFAOYSA-N
XLogP2.16
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (CID 4882132) is 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is DRERTPMBCWSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O5S2/c1-24-12-6-5-10(8-13(12)25(18,20)21)19-26(22,23)11-4-2-3-9(7-11)14(15,16)17/h2-8,19H,1H3,(H2,18,20,21).
What are the key properties of 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 410.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 4882132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).