3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide

C9H9N5O2S2 — CID 61105570

IUPAC3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1
InChIInChI=1S/C9H9N5O2S2/c1-14-5-7(8(11)12-14)18(15,16)13-9-6(4-10)2-3-17-9/h2-3,5,13H,1H3,(H2,11,12)
InChIKeyBAGCRFBKVXNUJF-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 61105570) has the molecular formula C9H9N5O2S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID61105570
Molecular FormulaC9H9N5O2S2
Molecular Weight283.34 g/mol
Exact Mass283.02
IUPAC Name3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1
InChIInChI=1S/C9H9N5O2S2/c1-14-5-7(8(11)12-14)18(15,16)13-9-6(4-10)2-3-17-9/h2-3,5,13H,1H3,(H2,11,12)
InChIKeyBAGCRFBKVXNUJF-UHFFFAOYSA-N
XLogP0.74
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide (CID 61105570) is 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1.
What is the InChIKey of 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is BAGCRFBKVXNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S2/c1-14-5-7(8(11)12-14)18(15,16)13-9-6(4-10)2-3-17-9/h2-3,5,13H,1H3,(H2,11,12).
What are the key properties of 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 283.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 61105570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).