N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C12H17N3O2S2 — CID 42349702

IUPACN-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(C)(C)C)c(-c2cccs2)n1
InChIInChI=1S/C12H17N3O2S2/c1-12(2,3)14-19(16,17)10-8-15(4)13-11(10)9-6-5-7-18-9/h5-8,14H,1-4H3
InChIKeyXLAOSTWNTKINPG-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.23
Rot. Bonds3

About N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349702) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349702
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(C)(C)C)c(-c2cccs2)n1
InChIInChI=1S/C12H17N3O2S2/c1-12(2,3)14-19(16,17)10-8-15(4)13-11(10)9-6-5-7-18-9/h5-8,14H,1-4H3
InChIKeyXLAOSTWNTKINPG-UHFFFAOYSA-N
XLogP2.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-(furan-2-ylmethyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349802
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285211
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349940
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349956
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349702) is N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC(C)(C)C)c(-c2cccs2)n1.
What is the InChIKey of N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is XLAOSTWNTKINPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-12(2,3)14-19(16,17)10-8-15(4)13-11(10)9-6-5-7-18-9/h5-8,14H,1-4H3.
What are the key properties of N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).