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

C12H17N3O2S2 — CID 22771349

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1nc(C)c(CNS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C12H17N3O2S2/c1-4-15-10(3)11(9(2)14-15)8-13-19(16,17)12-6-5-7-18-12/h5-7,13H,4,8H2,1-3H3
InChIKeyWSFPLVYFFCVQNS-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.06
Rot. Bonds5

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 22771349) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID22771349
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1nc(C)c(CNS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C12H17N3O2S2/c1-4-15-10(3)11(9(2)14-15)8-13-19(16,17)12-6-5-7-18-12/h5-7,13H,4,8H2,1-3H3
InChIKeyWSFPLVYFFCVQNS-UHFFFAOYSA-N
XLogP2.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 22771349) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is CCn1nc(C)c(CNS(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is WSFPLVYFFCVQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-4-15-10(3)11(9(2)14-15)8-13-19(16,17)12-6-5-7-18-12/h5-7,13H,4,8H2,1-3H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22771349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).