4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide

C15H14N2O3S — CID 63328163

IUPAC4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C15H14N2O3S/c1-12-8-9-16-11-15(12)17-21(19,20)14-6-4-13(5-7-14)3-2-10-18/h4-9,11,17-18H,10H2,1H3
InChIKeySVXFSJWNHHHZEH-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.53
Rot. Bonds3

About 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide

4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 63328163) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID63328163
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C15H14N2O3S/c1-12-8-9-16-11-15(12)17-21(19,20)14-6-4-13(5-7-14)3-2-10-18/h4-9,11,17-18H,10H2,1H3
InChIKeySVXFSJWNHHHZEH-UHFFFAOYSA-N
XLogP1.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107595353
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844403
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 116787673
4-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823787
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide
CID 63669871
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
4-(3-hydroxyprop-1-ynyl)-N-propylbenzenesulfonamide
CID 60824098
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 63328163) is 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccncc1NS(=O)(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is SVXFSJWNHHHZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-12-8-9-16-11-15(12)17-21(19,20)14-6-4-13(5-7-14)3-2-10-18/h4-9,11,17-18H,10H2,1H3.
What are the key properties of 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-ynyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63328163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).