4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

C14H15N3O3S — CID 63303726

IUPAC4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H15N3O3S/c1-17-13(8-9-15-17)11-16-21(19,20)14-6-4-12(5-7-14)3-2-10-18/h4-9,16,18H,10-11H2,1H3
InChIKeyPRZSUPFZFGWHOC-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.24
Rot. Bonds4

About 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 63303726) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID63303726
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C14H15N3O3S/c1-17-13(8-9-15-17)11-16-21(19,20)14-6-4-12(5-7-14)3-2-10-18/h4-9,16,18H,10-11H2,1H3
InChIKeyPRZSUPFZFGWHOC-UHFFFAOYSA-N
XLogP0.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.24
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

4-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 62104166
2-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]phenyl]ethanethioamide
CID 79203528
4-(3-hydroxyprop-1-ynyl)-N-propylbenzenesulfonamide
CID 60824098
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844403
N-(2,2-dimethylbutyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 103464025
2-chloro-4-cyano-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 103989029
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-methylpyrazole-3-sulfonamide
CID 104710419
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863260

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 63303726) is 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1nccc1CNS(=O)(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is PRZSUPFZFGWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17-13(8-9-15-17)11-16-21(19,20)14-6-4-12(5-7-14)3-2-10-18/h4-9,16,18H,10-11H2,1H3.
What are the key properties of 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63303726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).