N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C17H13F6N3O2S — CID 57391111

IUPACN-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1ccc2[nH]ncc2c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6N3O2S/c1-2-26(13-3-4-15-10(5-13)9-24-25-15)29(27,28)14-7-11(16(18,19)20)6-12(8-14)17(21,22)23/h3-9H,2H2,1H3,(H,24,25)
InChIKeyKNDMPBIVHVHIMT-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.82
Rot. Bonds4

About N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 57391111) has the molecular formula C17H13F6N3O2S and a molecular weight of 437.37 g/mol. Its IUPAC name is N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID57391111
Molecular FormulaC17H13F6N3O2S
Molecular Weight437.37 g/mol
Exact Mass437.06
IUPAC NameN-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1ccc2[nH]ncc2c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6N3O2S/c1-2-26(13-3-4-15-10(5-13)9-24-25-15)29(27,28)14-7-11(16(18,19)20)6-12(8-14)17(21,22)23/h3-9H,2H2,1H3,(H,24,25)
InChIKeyKNDMPBIVHVHIMT-UHFFFAOYSA-N
XLogP4.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 57391111) is N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is CCN(c1ccc2[nH]ncc2c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is KNDMPBIVHVHIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3O2S/c1-2-26(13-3-4-15-10(5-13)9-24-25-15)29(27,28)14-7-11(16(18,19)20)6-12(8-14)17(21,22)23/h3-9H,2H2,1H3,(H,24,25).
What are the key properties of N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 437.37 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-indazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57391111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).