3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide

C11H8BrN5O2S2 — CID 61062582

IUPAC3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)nc1)c1sccc1Br
InChIInChI=1S/C11H8BrN5O2S2/c12-9-3-4-20-11(9)21(18,19)16-8-1-2-10(14-5-8)17-7-13-6-15-17/h1-7,16H
InChIKeyFTSVYNIPFUVYHT-UHFFFAOYSA-N
MW386.26 g/mol
LogP2.29
Rot. Bonds4

About 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide

3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 61062582) has the molecular formula C11H8BrN5O2S2 and a molecular weight of 386.26 g/mol. Its IUPAC name is 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID61062582
Molecular FormulaC11H8BrN5O2S2
Molecular Weight386.26 g/mol
Exact Mass384.93
IUPAC Name3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)nc1)c1sccc1Br
InChIInChI=1S/C11H8BrN5O2S2/c12-9-3-4-20-11(9)21(18,19)16-8-1-2-10(14-5-8)17-7-13-6-15-17/h1-7,16H
InChIKeyFTSVYNIPFUVYHT-UHFFFAOYSA-N
XLogP2.29
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide (CID 61062582) is 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is FTSVYNIPFUVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O2S2/c12-9-3-4-20-11(9)21(18,19)16-8-1-2-10(14-5-8)17-7-13-6-15-17/h1-7,16H.
What are the key properties of 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide?
3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 386.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61062582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).