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

C10H13N5O2S — CID 164627567

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C
InChIInChI=1S/C10H13N5O2S/c1-8(10-12-7-13-15(10)2)14-18(16,17)9-4-3-5-11-6-9/h3-8,14H,1-2H3/t8-/m0/s1
InChIKeyAGPUXTXIKHRBJY-QMMMGPOBSA-N
MW267.31 g/mol
LogP0.25
Rot. Bonds4

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

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 164627567) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID164627567
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C
InChIInChI=1S/C10H13N5O2S/c1-8(10-12-7-13-15(10)2)14-18(16,17)9-4-3-5-11-6-9/h3-8,14H,1-2H3/t8-/m0/s1
InChIKeyAGPUXTXIKHRBJY-QMMMGPOBSA-N
XLogP0.25
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 44621441
3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzenesulfonamide
CID 137639159
4-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzenesulfonamide
CID 137658873
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
4-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 9508065
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
US9156811, Ddd85629
CID 57393583
US9156811, Ddd85626
CID 58561349
US9156811, Ddd86296
CID 58561211
Sulfanilamide, N(sup 1)-(2-pyridyl)-N(sup 1)-(2-(5-tetrazolyl)ethyl)-
CID 3053094
[1,2,4]Triazolo[1,5-a]pyridine-6-sulfonyl chloride
CID 83821830
N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 47084788

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 164627567) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is AGPUXTXIKHRBJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-8(10-12-7-13-15(10)2)14-18(16,17)9-4-3-5-11-6-9/h3-8,14H,1-2H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164627567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).