N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C9H11N3O2S2 — CID 22209336

IUPACN-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C9H11N3O2S2/c1-12-7-8(5-10-12)6-11-16(13,14)9-3-2-4-15-9/h2-5,7,11H,6H2,1H3
InChIKeyQFWZSLHMOZNGHR-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.96
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 22209336) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID22209336
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C9H11N3O2S2/c1-12-7-8(5-10-12)6-11-16(13,14)9-3-2-4-15-9/h2-5,7,11H,6H2,1H3
InChIKeyQFWZSLHMOZNGHR-UHFFFAOYSA-N
XLogP0.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 22209336) is N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cn1cc(CNS(=O)(=O)c2cccs2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is QFWZSLHMOZNGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-12-7-8(5-10-12)6-11-16(13,14)9-3-2-4-15-9/h2-5,7,11H,6H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 257.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22209336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).