4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate

C30H25ClN2O5S — CID 24994606

IUPAC4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate
SMILESNS(=O)(=O)c1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+2]([O-])[O-]
InChIInChI=1S/C30H25N2O2S.ClO3/c31-35(33,34)28-18-16-23(17-19-28)22-32-29(25-12-6-2-7-13-25)20-27(24-10-4-1-5-11-24)21-30(32)26-14-8-3-9-15-26;2-1(3)4/h1-21H,22H2,(H2,31,33,34);/q+1;-1
InChIKeyKDQZVUCGIGTVML-UHFFFAOYSA-N
MW561.06 g/mol
LogP2.10
Rot. Bonds6

About 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate

4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate (PubChem CID 24994606) has the molecular formula C30H25ClN2O5S and a molecular weight of 561.06 g/mol. Its IUPAC name is 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate.

Molecular Properties

Compound Name4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate
PubChem CID24994606
Molecular FormulaC30H25ClN2O5S
Molecular Weight561.06 g/mol
Exact Mass560.12
IUPAC Name4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate
SMILESNS(=O)(=O)c1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+2]([O-])[O-]
InChIInChI=1S/C30H25N2O2S.ClO3/c31-35(33,34)28-18-16-23(17-19-28)22-32-29(25-12-6-2-7-13-25)20-27(24-10-4-1-5-11-24)21-30(32)26-14-8-3-9-15-26;2-1(3)4/h1-21H,22H2,(H2,31,33,34);/q+1;-1
InChIKeyKDQZVUCGIGTVML-UHFFFAOYSA-N
XLogP2.10
TPSA133.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.06
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate
CID 11721174
1-benzyl-2,4,6-triphenylpyridin-1-ium;trifluoromethanesulfonate
CID 12655994
4-[[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide perchlorate
CID 10577600
4-[2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethyl]benzenesulfonamide chlorate
CID 24995233
1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate
CID 24892493
2,4,6-triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium
CID 4556019
4-[[4-methyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide chlorate
CID 24993993
4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]benzenesulfonamide chlorate
CID 24993673
4-[(2,4-dimethyl-6-propan-2-ylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate
CID 24993992
1-benzyl-2-(2,5-dimethylphenyl)-4,6-diphenylpyridin-1-ium;trifluoromethanesulfonate
CID 44888428
4-(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10768529
1-benzyl-2,4-diphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016807

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate?
The IUPAC name of 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate (CID 24994606) is 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate.
What is the SMILES notation for 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate?
The canonical SMILES for 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate is NS(=O)(=O)c1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+2]([O-])[O-].
What is the InChIKey of 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate?
The InChIKey is KDQZVUCGIGTVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N2O2S.ClO3/c31-35(33,34)28-18-16-23(17-19-28)22-32-29(25-12-6-2-7-13-25)20-27(24-10-4-1-5-11-24)21-30(32)26-14-8-3-9-15-26;2-1(3)4/h1-21H,22H2,(H2,31,33,34);/q+1;-1.
What are the key properties of 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate?
4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate has a molecular weight of 561.06 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-triphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate is sourced from PubChem (CID 24994606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).