2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide

C9H11N5O2S — CID 62945798

IUPAC2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ncn[nH]1
InChIInChI=1S/C9H11N5O2S/c15-17(16,14-9-11-7-12-13-9)6-4-8-3-1-2-5-10-8/h1-3,5,7H,4,6H2,(H2,11,12,13,14)
InChIKeyBRNCUSQOZRVMOH-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.18
Rot. Bonds5

About 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide

2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide (PubChem CID 62945798) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
PubChem CID62945798
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ncn[nH]1
InChIInChI=1S/C9H11N5O2S/c15-17(16,14-9-11-7-12-13-9)6-4-8-3-1-2-5-10-8/h1-3,5,7H,4,6H2,(H2,11,12,13,14)
InChIKeyBRNCUSQOZRVMOH-UHFFFAOYSA-N
XLogP0.18
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
3-chloro-N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 107858495
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 64786737
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide (CID 62945798) is 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide is O=S(=O)(CCc1ccccn1)Nc1ncn[nH]1.
What is the InChIKey of 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
The InChIKey is BRNCUSQOZRVMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c15-17(16,14-9-11-7-12-13-9)6-4-8-3-1-2-5-10-8/h1-3,5,7H,4,6H2,(H2,11,12,13,14).
What are the key properties of 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide?
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 62945798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).