2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide

C19H15F3N2O4S2 — CID 143826022

IUPAC2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C19H15F3N2O4S2/c20-19(21,22)28-15-7-3-5-13(11-15)14-6-4-8-16(12-14)29(25)24-17-9-1-2-10-18(17)30(23,26)27/h1-12,24H,(H2,23,26,27)
InChIKeyCIAPJCWSIPXXOS-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.03
Rot. Bonds6

About 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide

2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide (PubChem CID 143826022) has the molecular formula C19H15F3N2O4S2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide
PubChem CID143826022
Molecular FormulaC19H15F3N2O4S2
Molecular Weight456.47 g/mol
Exact Mass456.04
IUPAC Name2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C19H15F3N2O4S2/c20-19(21,22)28-15-7-3-5-13(11-15)14-6-4-8-16(12-14)29(25)24-17-9-1-2-10-18(17)30(23,26)27/h1-12,24H,(H2,23,26,27)
InChIKeyCIAPJCWSIPXXOS-UHFFFAOYSA-N
XLogP4.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide
CID 58874653
methyl 3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 75488260
N-(2-sulfamoylphenyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzamide
CID 12018920
N-[3-methyl-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155679982
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide?
The IUPAC name of 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide (CID 143826022) is 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide?
The canonical SMILES for 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NS(=O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide?
The InChIKey is CIAPJCWSIPXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4S2/c20-19(21,22)28-15-7-3-5-13(11-15)14-6-4-8-16(12-14)29(25)24-17-9-1-2-10-18(17)30(23,26)27/h1-12,24H,(H2,23,26,27).
What are the key properties of 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide?
2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide has a molecular weight of 456.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfinylamino]benzenesulfonamide is sourced from PubChem (CID 143826022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).