3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

C20H19Cl2N5O3S — CID 58499721

IUPAC3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
SMILESCCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N5O3S/c1-3-27-19(12(2)26-31(28,29)17-9-14(21)8-15(22)10-17)24-25-20(27)30-16-5-4-13-6-7-23-18(13)11-16/h4-12,23,26H,3H2,1-2H3/t12-/m1/s1
InChIKeyVLPAOSAQARUTPF-GFCCVEGCSA-N
MW480.38 g/mol
LogP4.92
Rot. Bonds7

About 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 58499721) has the molecular formula C20H19Cl2N5O3S and a molecular weight of 480.38 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
PubChem CID58499721
Molecular FormulaC20H19Cl2N5O3S
Molecular Weight480.38 g/mol
Exact Mass479.06
IUPAC Name3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
SMILESCCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N5O3S/c1-3-27-19(12(2)26-31(28,29)17-9-14(21)8-15(22)10-17)24-25-20(27)30-16-5-4-13-6-7-23-18(13)11-16/h4-12,23,26H,3H2,1-2H3/t12-/m1/s1
InChIKeyVLPAOSAQARUTPF-GFCCVEGCSA-N
XLogP4.92
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide (CID 58499721) is 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide is CCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is VLPAOSAQARUTPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19Cl2N5O3S/c1-3-27-19(12(2)26-31(28,29)17-9-14(21)8-15(22)10-17)24-25-20(27)30-16-5-4-13-6-7-23-18(13)11-16/h4-12,23,26H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 480.38 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 58499721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).