N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

C12H17N3O2S2 — CID 42350047

IUPACN,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N(C)C)c(-c2cccs2)n1
InChIInChI=1S/C12H17N3O2S2/c1-9(2)15-8-11(19(16,17)14(3)4)12(13-15)10-6-5-7-18-10/h5-9H,1-4H3
InChIKeyUMWATRNOXJILKZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.44
Rot. Bonds4

About N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350047) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350047
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)N(C)C)c(-c2cccs2)n1
InChIInChI=1S/C12H17N3O2S2/c1-9(2)15-8-11(19(16,17)14(3)4)12(13-15)10-6-5-7-18-10/h5-9H,1-4H3
InChIKeyUMWATRNOXJILKZ-UHFFFAOYSA-N
XLogP2.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350211
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
N-(1,3-benzodioxol-5-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285285
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350344
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350500

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350047) is N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)N(C)C)c(-c2cccs2)n1.
What is the InChIKey of N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is UMWATRNOXJILKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-9(2)15-8-11(19(16,17)14(3)4)12(13-15)10-6-5-7-18-10/h5-9H,1-4H3.
What are the key properties of N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).