4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

C20H14F3N3O5S — CID 26593345

IUPAC4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14F3N3O5S/c21-20(22,23)14-3-1-5-16(11-14)25-32(30,31)18-6-2-4-15(12-18)24-19(27)13-7-9-17(10-8-13)26(28)29/h1-12,25H,(H,24,27)
InChIKeyGYFBMGVLVGDCLF-UHFFFAOYSA-N
MW465.41 g/mol
LogP4.67
Rot. Bonds6

About 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 26593345) has the molecular formula C20H14F3N3O5S and a molecular weight of 465.41 g/mol. Its IUPAC name is 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID26593345
Molecular FormulaC20H14F3N3O5S
Molecular Weight465.41 g/mol
Exact Mass465.06
IUPAC Name4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14F3N3O5S/c21-20(22,23)14-3-1-5-16(11-14)25-32(30,31)18-6-2-4-15(12-18)24-19(27)13-7-9-17(10-8-13)26(28)29/h1-12,25H,(H,24,27)
InChIKeyGYFBMGVLVGDCLF-UHFFFAOYSA-N
XLogP4.67
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
3-methyl-2-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 31245458
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
3-[(4-nitrobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168227
4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 18893459
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24538181
5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
CID 39154493

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 26593345) is 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is GYFBMGVLVGDCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O5S/c21-20(22,23)14-3-1-5-16(11-14)25-32(30,31)18-6-2-4-15(12-18)24-19(27)13-7-9-17(10-8-13)26(28)29/h1-12,25H,(H,24,27).
What are the key properties of 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 465.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 26593345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).