N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide

C21H23N3O2S — CID 42347371

IUPACN-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C21H23N3O2S/c25-27(26,22-15-17-9-3-1-4-10-17)20-16-24(19-13-7-8-14-19)23-21(20)18-11-5-2-6-12-18/h1-6,9-12,16,19,22H,7-8,13-15H2
InChIKeyCBLLXYNXGJLOJB-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.14
Rot. Bonds6

About N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide

N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42347371) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42347371
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C21H23N3O2S/c25-27(26,22-15-17-9-3-1-4-10-17)20-16-24(19-13-7-8-14-19)23-21(20)18-11-5-2-6-12-18/h1-6,9-12,16,19,22H,7-8,13-15H2
InChIKeyCBLLXYNXGJLOJB-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide (CID 42347371) is N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide is O=S(=O)(NCc1ccccc1)c1cn(C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is CBLLXYNXGJLOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-27(26,22-15-17-9-3-1-4-10-17)20-16-24(19-13-7-8-14-19)23-21(20)18-11-5-2-6-12-18/h1-6,9-12,16,19,22H,7-8,13-15H2.
What are the key properties of N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42347371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).