3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

C19H21Cl2N5O3S — CID 58499713

IUPAC3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
SMILESCCn1c(Oc2cc(C)cc(C)n2)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21Cl2N5O3S/c1-5-26-18(23-24-19(26)29-17-9-11(2)8-12(3)22-17)13(4)25-30(27,28)14-6-7-15(20)16(21)10-14/h6-10,13,25H,5H2,1-4H3/t13-/m1/s1
InChIKeyFDHGPPZFYZDSEA-CYBMUJFWSA-N
MW470.38 g/mol
LogP4.45
Rot. Bonds7

About 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 58499713) has the molecular formula C19H21Cl2N5O3S and a molecular weight of 470.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
PubChem CID58499713
Molecular FormulaC19H21Cl2N5O3S
Molecular Weight470.38 g/mol
Exact Mass469.07
IUPAC Name3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
SMILESCCn1c(Oc2cc(C)cc(C)n2)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21Cl2N5O3S/c1-5-26-18(23-24-19(26)29-17-9-11(2)8-12(3)22-17)13(4)25-30(27,28)14-6-7-15(20)16(21)10-14/h6-10,13,25H,5H2,1-4H3/t13-/m1/s1
InChIKeyFDHGPPZFYZDSEA-CYBMUJFWSA-N
XLogP4.45
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide (CID 58499713) is 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide is CCn1c(Oc2cc(C)cc(C)n2)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is FDHGPPZFYZDSEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21Cl2N5O3S/c1-5-26-18(23-24-19(26)29-17-9-11(2)8-12(3)22-17)13(4)25-30(27,28)14-6-7-15(20)16(21)10-14/h6-10,13,25H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?
3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 470.38 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1R)-1-[5-[(4,6-dimethyl-2-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 58499713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).