N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide

C17H13F3N6O3S — CID 140956943

IUPACN-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)C1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C17H13F3N6O3S/c18-17(19,20)10-4-3-5-11(8-10)30(28,29)26-9-13(12-6-1-2-7-14(12)26)15(27)21-16-22-24-25-23-16/h1-8,13H,9H2,(H2,21,22,23,24,25,27)
InChIKeyIHTQGIHWIBWMDS-UHFFFAOYSA-N
MW438.39 g/mol
LogP2.15
Rot. Bonds4

About N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide

N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide (PubChem CID 140956943) has the molecular formula C17H13F3N6O3S and a molecular weight of 438.39 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
PubChem CID140956943
Molecular FormulaC17H13F3N6O3S
Molecular Weight438.39 g/mol
Exact Mass438.07
IUPAC NameN-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)C1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C17H13F3N6O3S/c18-17(19,20)10-4-3-5-11(8-10)30(28,29)26-9-13(12-6-1-2-7-14(12)26)15(27)21-16-22-24-25-23-16/h1-8,13H,9H2,(H2,21,22,23,24,25,27)
InChIKeyIHTQGIHWIBWMDS-UHFFFAOYSA-N
XLogP2.15
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide (CID 140956943) is N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide is O=C(Nc1nn[nH]n1)C1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
The InChIKey is IHTQGIHWIBWMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O3S/c18-17(19,20)10-4-3-5-11(8-10)30(28,29)26-9-13(12-6-1-2-7-14(12)26)15(27)21-16-22-24-25-23-16/h1-8,13H,9H2,(H2,21,22,23,24,25,27).
What are the key properties of N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide?
N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide has a molecular weight of 438.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 140956943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).