N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

C14H21N3O2S2 — CID 42350218

IUPACN-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(C(C)C)nc1-c1cccs1
InChIInChI=1S/C14H21N3O2S2/c1-4-5-8-15-21(18,19)13-10-17(11(2)3)16-14(13)12-7-6-9-20-12/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyFRNCLLWQLYVNBS-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.27
Rot. Bonds7

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

N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350218) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350218
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn(C(C)C)nc1-c1cccs1
InChIInChI=1S/C14H21N3O2S2/c1-4-5-8-15-21(18,19)13-10-17(11(2)3)16-14(13)12-7-6-9-20-12/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyFRNCLLWQLYVNBS-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350352
N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350344
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N-butyl-3-tert-butyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283787
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350500
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350218) is N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is CCCCNS(=O)(=O)c1cn(C(C)C)nc1-c1cccs1.
What is the InChIKey of N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is FRNCLLWQLYVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-4-5-8-15-21(18,19)13-10-17(11(2)3)16-14(13)12-7-6-9-20-12/h6-7,9-11,15H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 327.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).