disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride

C11H8ClF3N10Na2O2 — CID 173450412

IUPACdisodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride
SMILESO=C(Nc1cc(C(F)(F)F)cc(NC(=O)c2nn[nH]n2)c1Cl)c1nn[nH]n1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C11H6ClF3N10O2.2Na.2H/c12-6-4(16-9(26)7-18-22-23-19-7)1-3(11(13,14)15)2-5(6)17-10(27)8-20-24-25-21-8;;;;/h1-2H,(H,16,26)(H,17,27)(H,18,19,22,23)(H,20,21,24,25);;;;/q;2*+1;2*-1
InChIKeyHWJOQHNIVPIBSU-UHFFFAOYSA-N
MW450.68 g/mol
LogP-4.88
Rot. Bonds4

About disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride

disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride (PubChem CID 173450412) has the molecular formula C11H8ClF3N10Na2O2 and a molecular weight of 450.68 g/mol. Its IUPAC name is disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride.

Molecular Properties

Compound Namedisodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride
PubChem CID173450412
Molecular FormulaC11H8ClF3N10Na2O2
Molecular Weight450.68 g/mol
Exact Mass450.03
IUPAC Namedisodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride
SMILESO=C(Nc1cc(C(F)(F)F)cc(NC(=O)c2nn[nH]n2)c1Cl)c1nn[nH]n1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C11H6ClF3N10O2.2Na.2H/c12-6-4(16-9(26)7-18-22-23-19-7)1-3(11(13,14)15)2-5(6)17-10(27)8-20-24-25-21-8;;;;/h1-2H,(H,16,26)(H,17,27)(H,18,19,22,23)(H,20,21,24,25);;;;/q;2*+1;2*-1
InChIKeyHWJOQHNIVPIBSU-UHFFFAOYSA-N
XLogP-4.88
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.68
LogP ≤ 5-4.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride?
The IUPAC name of disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride (CID 173450412) is disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride.
What is the SMILES notation for disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride?
The canonical SMILES for disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride is O=C(Nc1cc(C(F)(F)F)cc(NC(=O)c2nn[nH]n2)c1Cl)c1nn[nH]n1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride?
The InChIKey is HWJOQHNIVPIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N10O2.2Na.2H/c12-6-4(16-9(26)7-18-22-23-19-7)1-3(11(13,14)15)2-5(6)17-10(27)8-20-24-25-21-8;;;;/h1-2H,(H,16,26)(H,17,27)(H,18,19,22,23)(H,20,21,24,25);;;;/q;2*+1;2*-1.
What are the key properties of disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride?
disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride has a molecular weight of 450.68 g/mol, XLogP of -4.88, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride is sourced from PubChem (CID 173450412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).