2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide

C9H11BrN6O2S — CID 64525350

IUPAC2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H11BrN6O2S/c10-6-3-7(9(11)12-4-6)19(17,18)15-2-1-8-13-5-14-16-8/h3-5,15H,1-2H2,(H2,11,12)(H,13,14,16)
InChIKeyLRQJFABRYDRYML-UHFFFAOYSA-N
MW347.20 g/mol
LogP0.07
Rot. Bonds5

About 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 64525350) has the molecular formula C9H11BrN6O2S and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
PubChem CID64525350
Molecular FormulaC9H11BrN6O2S
Molecular Weight347.20 g/mol
Exact Mass345.98
IUPAC Name2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H11BrN6O2S/c10-6-3-7(9(11)12-4-6)19(17,18)15-2-1-8-13-5-14-16-8/h3-5,15H,1-2H2,(H2,11,12)(H,13,14,16)
InChIKeyLRQJFABRYDRYML-UHFFFAOYSA-N
XLogP0.07
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-bromo-5-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64519149
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 64517232
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
CID 62146514
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
2,4-dibromo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64531882
2-amino-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64525550
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64518781

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (CID 64525350) is 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is LRQJFABRYDRYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6O2S/c10-6-3-7(9(11)12-4-6)19(17,18)15-2-1-8-13-5-14-16-8/h3-5,15H,1-2H2,(H2,11,12)(H,13,14,16).
What are the key properties of 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 347.20 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64525350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).