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

C10H13BrN6O2S — CID 106283477

IUPAC5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H13BrN6O2S/c1-6(9-14-5-15-16-9)17-20(18,19)8-3-7(11)4-13-10(8)12-2/h3-6,17H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyXPXVUAKJEOQAKW-UHFFFAOYSA-N
MW361.23 g/mol
LogP1.04
Rot. Bonds5

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

5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106283477) has the molecular formula C10H13BrN6O2S and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106283477
Molecular FormulaC10H13BrN6O2S
Molecular Weight361.23 g/mol
Exact Mass360.00
IUPAC Name5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H13BrN6O2S/c1-6(9-14-5-15-16-9)17-20(18,19)8-3-7(11)4-13-10(8)12-2/h3-6,17H,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyXPXVUAKJEOQAKW-UHFFFAOYSA-N
XLogP1.04
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283519
2,5-dibromo-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943221
3-(aminomethyl)-5-bromo-2-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283753
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
CID 106027676
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
2-bromo-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106283959
2-bromo-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106283941
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (CID 106283477) is 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is XPXVUAKJEOQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6O2S/c1-6(9-14-5-15-16-9)17-20(18,19)8-3-7(11)4-13-10(8)12-2/h3-6,17H,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 361.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106283477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).