1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C17H17N3O2S2 — CID 42351775

IUPAC1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,19-14-8-9-14)16-12-20(11-13-5-2-1-3-6-13)18-17(16)15-7-4-10-23-15/h1-7,10,12,14,19H,8-9,11H2
InChIKeyDJTTVCMYLRLNDP-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.10
Rot. Bonds6

About 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide

1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42351775) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42351775
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,19-14-8-9-14)16-12-20(11-13-5-2-1-3-6-13)18-17(16)15-7-4-10-23-15/h1-7,10,12,14,19H,8-9,11H2
InChIKeyDJTTVCMYLRLNDP-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
1-benzyl-N-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285422
1-benzyl-N-(4-bromo-2-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285432
N,1-dibenzyl-N-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351271
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285448
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
2-[4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanol
CID 29384847
1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351426
ethyl 4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 42351367
1-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17449182

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42351775) is 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(NC1CC1)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is DJTTVCMYLRLNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-24(22,19-14-8-9-14)16-12-20(11-13-5-2-1-3-6-13)18-17(16)15-7-4-10-23-15/h1-7,10,12,14,19H,8-9,11H2.
What are the key properties of 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42351775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).