1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C13H19N3O2S2 — CID 42349704

IUPAC1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C13H19N3O2S2/c1-10(2)6-7-14-20(17,18)12-9-16(3)15-13(12)11-5-4-8-19-11/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyMJMXJSTWTAZQHV-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.47
Rot. Bonds6

About 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349704) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349704
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C13H19N3O2S2/c1-10(2)6-7-14-20(17,18)12-9-16(3)15-13(12)11-5-4-8-19-11/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyMJMXJSTWTAZQHV-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
N-(furan-2-ylmethyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349802
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285211
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349704) is 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)CCNS(=O)(=O)c1cn(C)nc1-c1cccs1.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is MJMXJSTWTAZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-10(2)6-7-14-20(17,18)12-9-16(3)15-13(12)11-5-4-8-19-11/h4-5,8-10,14H,6-7H2,1-3H3.
What are the key properties of 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).