N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate

C16H20ClN3O7S — CID 10765251

IUPACN-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate
SMILESCc1cc(C)[n+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C16H19N3O3S.ClHO4/c1-11-8-12(2)19(13(3)9-11)10-16(20)18-14-4-6-15(7-5-14)23(17,21)22;2-1(3,4)5/h4-9H,10H2,1-3H3,(H2-,17,18,20,21,22);(H,2,3,4,5)
InChIKeyFOTUETNWZMTXCY-UHFFFAOYSA-N
MW433.87 g/mol
LogP-3.57
Rot. Bonds4

About N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate

N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate (PubChem CID 10765251) has the molecular formula C16H20ClN3O7S and a molecular weight of 433.87 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate
PubChem CID10765251
Molecular FormulaC16H20ClN3O7S
Molecular Weight433.87 g/mol
Exact Mass433.07
IUPAC NameN-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate
SMILESCc1cc(C)[n+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C16H19N3O3S.ClHO4/c1-11-8-12(2)19(13(3)9-11)10-16(20)18-14-4-6-15(7-5-14)23(17,21)22;2-1(3,4)5/h4-9H,10H2,1-3H3,(H2-,17,18,20,21,22);(H,2,3,4,5)
InChIKeyFOTUETNWZMTXCY-UHFFFAOYSA-N
XLogP-3.57
TPSA185.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 5-3.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium
CID 5289159
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 925262
N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1088545
N-[4-[(1,5-dimethylpyrrol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 2556847
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 2991744
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
N~2~-(2-ethylphenyl)-N~2~-(phenylsulfonyl)-N-pyridin-3-ylglycinamide
CID 1337759
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-4-ylmethyl-acetamide
CID 770945
2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylacetamide
CID 925202
N-Pyridin-3-yl-2-[(toluene-4-sulfonyl)-o-tolyl-amino]-acetamide
CID 1139709
Cambridge id 7171821
CID 1312346

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate?
The IUPAC name of N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate (CID 10765251) is N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate is Cc1cc(C)[n+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate?
The InChIKey is FOTUETNWZMTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S.ClHO4/c1-11-8-12(2)19(13(3)9-11)10-16(20)18-14-4-6-15(7-5-14)23(17,21)22;2-1(3,4)5/h4-9H,10H2,1-3H3,(H2-,17,18,20,21,22);(H,2,3,4,5).
What are the key properties of N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate?
N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate has a molecular weight of 433.87 g/mol, XLogP of -3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate is sourced from PubChem (CID 10765251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).