N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

C15H18N3O4S+ — CID 8751190

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C[n+]2cccc(O)c2)c1
InChIInChI=1S/C15H17N3O4S/c1-17(2)23(21,22)14-7-3-5-12(9-14)16-15(20)11-18-8-4-6-13(19)10-18/h3-10H,11H2,1-2H3,(H-,16,19,20)/p+1
InChIKeyUQTACUYZRDKZQL-UHFFFAOYSA-O
MW336.39 g/mol
LogP0.57
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (PubChem CID 8751190) has the molecular formula C15H18N3O4S+ and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
PubChem CID8751190
Molecular FormulaC15H18N3O4S+
Molecular Weight336.39 g/mol
Exact Mass336.10
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C[n+]2cccc(O)c2)c1
InChIInChI=1S/C15H17N3O4S/c1-17(2)23(21,22)14-7-3-5-12(9-14)16-15(20)11-18-8-4-6-13(19)10-18/h3-10H,11H2,1-2H3,(H-,16,19,20)/p+1
InChIKeyUQTACUYZRDKZQL-UHFFFAOYSA-O
XLogP0.57
TPSA90.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-prop-2-enylimidazol-1-ium-1-yl)acetamide
CID 8860799
N-(2,6-dimethylphenyl)-2-[3-(dimethylsulfamoyl)pyridin-1-ium-1-yl]acetamide
CID 155615257
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide
CID 8751051
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751307
N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 2329822

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (CID 8751190) is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)C[n+]2cccc(O)c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The InChIKey is UQTACUYZRDKZQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N3O4S/c1-17(2)23(21,22)14-7-3-5-12(9-14)16-15(20)11-18-8-4-6-13(19)10-18/h3-10H,11H2,1-2H3,(H-,16,19,20)/p+1.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8751190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).