N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

C12H17N3O3S2 — CID 71810417

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cnn(C)c1)c1ccc(C)s1
InChIInChI=1S/C12H17N3O3S2/c1-9-4-5-12(19-9)11(18-3)7-14-20(16,17)10-6-13-15(2)8-10/h4-6,8,11,14H,7H2,1-3H3
InChIKeyJBNGIOOCXRZRNZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.46
Rot. Bonds6

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71810417) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71810417
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cnn(C)c1)c1ccc(C)s1
InChIInChI=1S/C12H17N3O3S2/c1-9-4-5-12(19-9)11(18-3)7-14-20(16,17)10-6-13-15(2)8-10/h4-6,8,11,14H,7H2,1-3H3
InChIKeyJBNGIOOCXRZRNZ-UHFFFAOYSA-N
XLogP1.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 71810417) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is COC(CNS(=O)(=O)c1cnn(C)c1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is JBNGIOOCXRZRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-9-4-5-12(19-9)11(18-3)7-14-20(16,17)10-6-13-15(2)8-10/h4-6,8,11,14H,7H2,1-3H3.
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71810417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).