4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide

C8H9F3N2O4S2 — CID 4184455

IUPAC4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2O4S2/c9-8(10,11)19(16,17)13-5-6-1-3-7(4-2-6)18(12,14)15/h1-4,13H,5H2,(H2,12,14,15)
InChIKeyCHIZKUVUWKAMQB-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.27
Rot. Bonds4

About 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide

4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide (PubChem CID 4184455) has the molecular formula C8H9F3N2O4S2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide
PubChem CID4184455
Molecular FormulaC8H9F3N2O4S2
Molecular Weight318.30 g/mol
Exact Mass318.00
IUPAC Name4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2O4S2/c9-8(10,11)19(16,17)13-5-6-1-3-7(4-2-6)18(12,14)15/h1-4,13H,5H2,(H2,12,14,15)
InChIKeyCHIZKUVUWKAMQB-UHFFFAOYSA-N
XLogP0.27
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide (CID 4184455) is 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide?
The InChIKey is CHIZKUVUWKAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O4S2/c9-8(10,11)19(16,17)13-5-6-1-3-7(4-2-6)18(12,14)15/h1-4,13H,5H2,(H2,12,14,15).
What are the key properties of 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide?
4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide has a molecular weight of 318.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(trifluoromethylsulfonylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 4184455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).