5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide

C12H9BrN4O2S2 — CID 71770915

IUPAC5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1
InChIInChI=1S/C12H9BrN4O2S2/c13-8-2-1-3-9(6-8)17-7-10(15-16-17)11-4-5-12(20-11)21(14,18)19/h1-7H,(H2,14,18,19)
InChIKeyYNSOFSMLBOWLQR-UHFFFAOYSA-N
MW385.27 g/mol
LogP2.41
Rot. Bonds3

About 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide

5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71770915) has the molecular formula C12H9BrN4O2S2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71770915
Molecular FormulaC12H9BrN4O2S2
Molecular Weight385.27 g/mol
Exact Mass383.94
IUPAC Name5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1
InChIInChI=1S/C12H9BrN4O2S2/c13-8-2-1-3-9(6-8)17-7-10(15-16-17)11-4-5-12(20-11)21(14,18)19/h1-7H,(H2,14,18,19)
InChIKeyYNSOFSMLBOWLQR-UHFFFAOYSA-N
XLogP2.41
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-Methylphenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
CID 71770791
5-[1-(3-Cyanophenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
CID 71770916
5-(1-Phenyltriazol-4-yl)thiophene-2-sulfonamide
CID 71770789
5-[1-(3-Methylphenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71770790
5-[1-[4-(Trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
CID 71770914
5-[1-(3-Chloro-4-fluorophenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71770918
5-[1-(4-Iodophenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71771032
5-[1-(2-Fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71771033
5-bromo-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]-N-methylthiophene-2-sulfonamide
CID 11431622
4,5-dibromo-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-sulfonamide
CID 3864870
5-[1-[3-(Trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
CID 102444449
1-(2-Bromophenyl)-4-thiophen-2-yltriazole
CID 141461702

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide (CID 71770915) is 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cn(-c3cccc(Br)c3)nn2)s1.
What is the InChIKey of 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is YNSOFSMLBOWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2S2/c13-8-2-1-3-9(6-8)17-7-10(15-16-17)11-4-5-12(20-11)21(14,18)19/h1-7H,(H2,14,18,19).
What are the key properties of 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide?
5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 385.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-bromophenyl)triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71770915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).