2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

C20H16F6N6O3S — CID 166770395

IUPAC2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16F6N6O3S/c1-12(8-9-19(21,22)23)28-18(33)16-7-2-13(20(24,25)26)10-17(16)29-36(34,35)15-5-3-14(4-6-15)32-11-27-30-31-32/h2-7,10-11,29H,1,8-9H2,(H,28,33)
InChIKeyHFJBQOXLMAMRDQ-UHFFFAOYSA-N
MW534.44 g/mol
LogP4.07
Rot. Bonds8

About 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (PubChem CID 166770395) has the molecular formula C20H16F6N6O3S and a molecular weight of 534.44 g/mol. Its IUPAC name is 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.

Molecular Properties

Compound Name2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
PubChem CID166770395
Molecular FormulaC20H16F6N6O3S
Molecular Weight534.44 g/mol
Exact Mass534.09
IUPAC Name2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H16F6N6O3S/c1-12(8-9-19(21,22)23)28-18(33)16-7-2-13(20(24,25)26)10-17(16)29-36(34,35)15-5-3-14(4-6-15)32-11-27-30-31-32/h2-7,10-11,29H,1,8-9H2,(H,28,33)
InChIKeyHFJBQOXLMAMRDQ-UHFFFAOYSA-N
XLogP4.07
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770495
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770507
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 8844382
2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166981791
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 7042585
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
3-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52700082
4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid
CID 146601229
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 35329651

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The IUPAC name of 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (CID 166770395) is 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.
What is the SMILES notation for 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The canonical SMILES for 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is C=C(CCC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The InChIKey is HFJBQOXLMAMRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N6O3S/c1-12(8-9-19(21,22)23)28-18(33)16-7-2-13(20(24,25)26)10-17(16)29-36(34,35)15-5-3-14(4-6-15)32-11-27-30-31-32/h2-7,10-11,29H,1,8-9H2,(H,28,33).
What are the key properties of 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide has a molecular weight of 534.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is sourced from PubChem (CID 166770395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).