2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide

C20H15F3N2O5S2 — CID 166636313

IUPAC2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15F3N2O5S2/c21-20(22,23)31(27,28)16-11-12-18(25-32(29,30)15-9-5-2-6-10-15)17(13-16)19(26)24-14-7-3-1-4-8-14/h1-13,25H,(H,24,26)
InChIKeyOPTZSUVFWNVURK-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.03
Rot. Bonds6

About 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide

2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide (PubChem CID 166636313) has the molecular formula C20H15F3N2O5S2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide
PubChem CID166636313
Molecular FormulaC20H15F3N2O5S2
Molecular Weight484.48 g/mol
Exact Mass484.04
IUPAC Name2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15F3N2O5S2/c21-20(22,23)31(27,28)16-11-12-18(25-32(29,30)15-9-5-2-6-10-15)17(13-16)19(26)24-14-7-3-1-4-8-14/h1-13,25H,(H,24,26)
InChIKeyOPTZSUVFWNVURK-UHFFFAOYSA-N
XLogP4.03
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573
2-[(4-acetamidophenyl)sulfonylamino]-5-sulfobenzoic acid
CID 3753672

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide (CID 166636313) is 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide is O=C(Nc1ccccc1)c1cc(S(=O)(=O)C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide?
The InChIKey is OPTZSUVFWNVURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O5S2/c21-20(22,23)31(27,28)16-11-12-18(25-32(29,30)15-9-5-2-6-10-15)17(13-16)19(26)24-14-7-3-1-4-8-14/h1-13,25H,(H,24,26).
What are the key properties of 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide?
2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide has a molecular weight of 484.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 166636313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).