5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide

C9H9N5O2S2 — CID 106269751

IUPAC5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C9H9N5O2S2/c1-14-6-11-8(13-14)5-12-18(15,16)9-3-2-7(4-10)17-9/h2-3,6,12H,5H2,1H3
InChIKeyHWBLVWMVFHDFRY-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.23
Rot. Bonds4

About 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106269751) has the molecular formula C9H9N5O2S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID106269751
Molecular FormulaC9H9N5O2S2
Molecular Weight283.34 g/mol
Exact Mass283.02
IUPAC Name5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C9H9N5O2S2/c1-14-6-11-8(13-14)5-12-18(15,16)9-3-2-7(4-10)17-9/h2-3,6,12H,5H2,1H3
InChIKeyHWBLVWMVFHDFRY-UHFFFAOYSA-N
XLogP0.23
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106093491
5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106268817
4-(cyanomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883887
3-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883848
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198
5-cyano-N-(4-cyano-1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 106266826
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide (CID 106269751) is 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide is Cn1cnc(CNS(=O)(=O)c2ccc(C#N)s2)n1.
What is the InChIKey of 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is HWBLVWMVFHDFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S2/c1-14-6-11-8(13-14)5-12-18(15,16)9-3-2-7(4-10)17-9/h2-3,6,12H,5H2,1H3.
What are the key properties of 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 283.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106269751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).