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

C18H25N3O2S — CID 42282581

IUPACN-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C
InChIInChI=1S/C18H25N3O2S/c1-3-20(13-16-9-5-4-6-10-16)24(22,23)18-14-21(19-15(18)2)17-11-7-8-12-17/h4-6,9-10,14,17H,3,7-8,11-13H2,1-2H3
InChIKeyZXDKYNLPJCMPLI-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.52
Rot. Bonds6

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

N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 42282581) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID42282581
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C
InChIInChI=1S/C18H25N3O2S/c1-3-20(13-16-9-5-4-6-10-16)24(22,23)18-14-21(19-15(18)2)17-11-7-8-12-17/h4-6,9-10,14,17H,3,7-8,11-13H2,1-2H3
InChIKeyZXDKYNLPJCMPLI-UHFFFAOYSA-N
XLogP3.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
CID 42346901
N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
CID 42284005
1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42346872
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
CID 3226867
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide
CID 42282720
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42282672
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide (CID 42282581) is N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C.
What is the InChIKey of N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is ZXDKYNLPJCMPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-3-20(13-16-9-5-4-6-10-16)24(22,23)18-14-21(19-15(18)2)17-11-7-8-12-17/h4-6,9-10,14,17H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide?
N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.52, 6 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-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).