N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

C11H15N5O2S — CID 164634511

IUPACN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCn1cnnc1[C@H](C)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H15N5O2S/c1-3-16-8-13-14-11(16)9(2)15-19(17,18)10-5-4-6-12-7-10/h4-9,15H,3H2,1-2H3/t9-/m0/s1
InChIKeyZHAXHVVKHZIHKH-VIFPVBQESA-N
MW281.34 g/mol
LogP0.73
Rot. Bonds5

About N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 164634511) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID164634511
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCn1cnnc1[C@H](C)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H15N5O2S/c1-3-16-8-13-14-11(16)9(2)15-19(17,18)10-5-4-6-12-7-10/h4-9,15H,3H2,1-2H3/t9-/m0/s1
InChIKeyZHAXHVVKHZIHKH-VIFPVBQESA-N
XLogP0.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 164634511) is N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is CCn1cnnc1[C@H](C)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is ZHAXHVVKHZIHKH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-3-16-8-13-14-11(16)9(2)15-19(17,18)10-5-4-6-12-7-10/h4-9,15H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164634511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).