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

C23H27N3O2S — CID 42346901

IUPACN-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C23H27N3O2S/c1-2-25(17-19-11-5-3-6-12-19)29(27,28)22-18-26(21-15-9-10-16-21)24-23(22)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3
InChIKeyYWUDJEBJKNGELJ-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.88
Rot. Bonds7

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

N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42346901) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42346901
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C23H27N3O2S/c1-2-25(17-19-11-5-3-6-12-19)29(27,28)22-18-26(21-15-9-10-16-21)24-23(22)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3
InChIKeyYWUDJEBJKNGELJ-UHFFFAOYSA-N
XLogP4.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854
N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
CID 42282581
1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42346872
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
CID 42347151
N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
CID 42284005
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
CID 3226867
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 42284988
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285010

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide (CID 42346901) is N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is YWUDJEBJKNGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-2-25(17-19-11-5-3-6-12-19)29(27,28)22-18-26(21-15-9-10-16-21)24-23(22)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3.
What are the key properties of N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide?
N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 409.56 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42346901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).