N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide

C11H15N3O2S2 — CID 22204146

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C11H15N3O2S2/c1-3-14-9-10(7-12-14)8-13(2)18(15,16)11-5-4-6-17-11/h4-7,9H,3,8H2,1-2H3
InChIKeyMWCPEEIPOBZDHU-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.79
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 22204146) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID22204146
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C11H15N3O2S2/c1-3-14-9-10(7-12-14)8-13(2)18(15,16)11-5-4-6-17-11/h4-7,9H,3,8H2,1-2H3
InChIKeyMWCPEEIPOBZDHU-UHFFFAOYSA-N
XLogP1.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide (CID 22204146) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide is CCn1cc(CN(C)S(=O)(=O)c2cccs2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is MWCPEEIPOBZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-3-14-9-10(7-12-14)8-13(2)18(15,16)11-5-4-6-17-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 22204146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).