N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C19H18N4O2S3 — CID 42285372

IUPACN-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C19H18N4O2S3/c24-28(25,22-19-20-14-8-3-4-9-15(14)27-19)17-12-23(13-6-1-2-7-13)21-18(17)16-10-5-11-26-16/h3-5,8-13H,1-2,6-7H2,(H,20,22)
InChIKeyBVTAAEXISHWMLG-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.14
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285372) has the molecular formula C19H18N4O2S3 and a molecular weight of 430.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285372
Molecular FormulaC19H18N4O2S3
Molecular Weight430.58 g/mol
Exact Mass430.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C19H18N4O2S3/c24-28(25,22-19-20-14-8-3-4-9-15(14)27-19)17-12-23(13-6-1-2-7-13)21-18(17)16-10-5-11-26-16/h3-5,8-13H,1-2,6-7H2,(H,20,22)
InChIKeyBVTAAEXISHWMLG-UHFFFAOYSA-N
XLogP5.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285510
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351188
1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 42282816
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 42350649
1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285010
N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285299
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285372) is N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide is O=S(=O)(Nc1nc2ccccc2s1)c1cn(C2CCCC2)nc1-c1cccs1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is BVTAAEXISHWMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S3/c24-28(25,22-19-20-14-8-3-4-9-15(14)27-19)17-12-23(13-6-1-2-7-13)21-18(17)16-10-5-11-26-16/h3-5,8-13H,1-2,6-7H2,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 430.58 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).