4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

C12H14ClN3O2S — CID 22207459

IUPAC4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2S/c13-11-3-5-12(6-4-11)19(17,18)15-8-2-10-16-9-1-7-14-16/h1,3-7,9,15H,2,8,10H2
InChIKeyRCZVWPHKJYRHHZ-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.91
Rot. Bonds6

About 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide

4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (PubChem CID 22207459) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
PubChem CID22207459
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2S/c13-11-3-5-12(6-4-11)19(17,18)15-8-2-10-16-9-1-7-14-16/h1,3-7,9,15H,2,8,10H2
InChIKeyRCZVWPHKJYRHHZ-UHFFFAOYSA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394130
2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide
CID 91650250
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461366
4-chloro-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539160
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide (CID 22207459) is 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCn1cccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is RCZVWPHKJYRHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c13-11-3-5-12(6-4-11)19(17,18)15-8-2-10-16-9-1-7-14-16/h1,3-7,9,15H,2,8,10H2.
What are the key properties of 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide?
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 22207459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).