4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C14H16N4O2S — CID 61461366

IUPAC4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NCCn2cccn2)cc1
InChIInChI=1S/C14H16N4O2S/c15-8-1-3-13-4-6-14(7-5-13)21(19,20)17-10-12-18-11-2-9-16-18/h2,4-7,9,11,17H,8,10,12,15H2
InChIKeyQHKAHJAAMQWQMS-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.17
Rot. Bonds5

About 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61461366) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61461366
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESNCC#Cc1ccc(S(=O)(=O)NCCn2cccn2)cc1
InChIInChI=1S/C14H16N4O2S/c15-8-1-3-13-4-6-14(7-5-13)21(19,20)17-10-12-18-11-2-9-16-18/h2,4-7,9,11,17H,8,10,12,15H2
InChIKeyQHKAHJAAMQWQMS-UHFFFAOYSA-N
XLogP0.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673
4-(3-aminoprop-1-ynyl)-N-benzylbenzenesulfonamide
CID 60845155
4-(3-aminoprop-1-ynyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60846057
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
3-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanamide
CID 54926683
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
4-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844825
4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63004010
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897525
4-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640361

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61461366) is 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is NCC#Cc1ccc(S(=O)(=O)NCCn2cccn2)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is QHKAHJAAMQWQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-8-1-3-13-4-6-14(7-5-13)21(19,20)17-10-12-18-11-2-9-16-18/h2,4-7,9,11,17H,8,10,12,15H2.
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61461366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).