N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide

C16H20ClN3O2S — CID 42282708

IUPACN-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2S/c1-12-16(11-20(19-12)15-4-2-3-5-15)23(21,22)18-10-13-6-8-14(17)9-7-13/h6-9,11,15,18H,2-5,10H2,1H3
InChIKeyGSQYSIOHVGCYHE-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide

N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide (PubChem CID 42282708) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
PubChem CID42282708
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2S/c1-12-16(11-20(19-12)15-4-2-3-5-15)23(21,22)18-10-13-6-8-14(17)9-7-13/h6-9,11,15,18H,2-5,10H2,1H3
InChIKeyGSQYSIOHVGCYHE-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[2-(diethylamino)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42282672
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide
CID 42282720
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42282842
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
CID 42282581
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide (CID 42282708) is N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide is Cc1nn(C2CCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is GSQYSIOHVGCYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-12-16(11-20(19-12)15-4-2-3-5-15)23(21,22)18-10-13-6-8-14(17)9-7-13/h6-9,11,15,18H,2-5,10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide?
N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 353.88 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).