4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide

C16H21N3O3S — CID 110731903

IUPAC4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccn[nH]1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H21N3O3S/c20-23(21,18-12-10-13-9-11-17-19-13)16-7-5-15(6-8-16)22-14-3-1-2-4-14/h5-9,11,14,18H,1-4,10,12H2,(H,17,19)
InChIKeyMTEGTOLDSRZPFD-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.25
Rot. Bonds7

About 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide

4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110731903) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110731903
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccn[nH]1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H21N3O3S/c20-23(21,18-12-10-13-9-11-17-19-13)16-7-5-15(6-8-16)22-14-3-1-2-4-14/h5-9,11,14,18H,1-4,10,12H2,(H,17,19)
InChIKeyMTEGTOLDSRZPFD-UHFFFAOYSA-N
XLogP2.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide (CID 110731903) is 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccn[nH]1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is MTEGTOLDSRZPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-23(21,18-12-10-13-9-11-17-19-13)16-7-5-15(6-8-16)22-14-3-1-2-4-14/h5-9,11,14,18H,1-4,10,12H2,(H,17,19).
What are the key properties of 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110731903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).