4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide

C14H18N4O2S — CID 162677168

IUPAC4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C14H18N4O2S/c15-11-5-7-13(8-6-11)21(19,20)17-14-9-10-16-18(14)12-3-1-2-4-12/h5-10,12,17H,1-4,15H2
InChIKeyIYIKOPVCLZMPFF-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide

4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide (PubChem CID 162677168) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide
PubChem CID162677168
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C14H18N4O2S/c15-11-5-7-13(8-6-11)21(19,20)17-14-9-10-16-18(14)12-3-1-2-4-12/h5-10,12,17H,1-4,15H2
InChIKeyIYIKOPVCLZMPFF-UHFFFAOYSA-N
XLogP2.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide (CID 162677168) is 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1.
What is the InChIKey of 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is IYIKOPVCLZMPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-11-5-7-13(8-6-11)21(19,20)17-14-9-10-16-18(14)12-3-1-2-4-12/h5-10,12,17H,1-4,15H2.
What are the key properties of 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide?
4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopentylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 162677168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).