N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide

C14H17N3O2S2 — CID 61275750

IUPACN-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(SC2CCCC2)cc1)c1cn[nH]c1
InChIInChI=1S/C14H17N3O2S2/c18-21(19,14-9-15-16-10-14)17-11-5-7-13(8-6-11)20-12-3-1-2-4-12/h5-10,12,17H,1-4H2,(H,15,16)
InChIKeyOKRKKCMNQNFQDD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.25
Rot. Bonds5

About N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide

N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61275750) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61275750
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(SC2CCCC2)cc1)c1cn[nH]c1
InChIInChI=1S/C14H17N3O2S2/c18-21(19,14-9-15-16-10-14)17-11-5-7-13(8-6-11)20-12-3-1-2-4-12/h5-10,12,17H,1-4H2,(H,15,16)
InChIKeyOKRKKCMNQNFQDD-UHFFFAOYSA-N
XLogP3.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide (CID 61275750) is N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(SC2CCCC2)cc1)c1cn[nH]c1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OKRKKCMNQNFQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c18-21(19,14-9-15-16-10-14)17-11-5-7-13(8-6-11)20-12-3-1-2-4-12/h5-10,12,17H,1-4H2,(H,15,16).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).