sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate

C17H21N4NaO7S2 — CID 157495635

IUPACsodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)C)cn1.CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1.[Na+]
InChIInChI=1S/C9H12N2O3S.C8H10N2O4S.Na/c1-7(12)9-5-4-8(6-10-9)15(13,14)11(2)3;1-10(2)15(13,14)6-3-4-7(8(11)12)9-5-6;/h4-6H,1-3H3;3-5H,1-2H3,(H,11,12);/q;;+1/p-1
InChIKeyYWSXGFAXNCRWMA-UHFFFAOYSA-M
MW480.50 g/mol
LogP-3.77
Rot. Bonds6

About sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate

sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate (PubChem CID 157495635) has the molecular formula C17H21N4NaO7S2 and a molecular weight of 480.50 g/mol. Its IUPAC name is sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate
PubChem CID157495635
Molecular FormulaC17H21N4NaO7S2
Molecular Weight480.50 g/mol
Exact Mass480.07
IUPAC Namesodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)C)cn1.CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1.[Na+]
InChIInChI=1S/C9H12N2O3S.C8H10N2O4S.Na/c1-7(12)9-5-4-8(6-10-9)15(13,14)11(2)3;1-10(2)15(13,14)6-3-4-7(8(11)12)9-5-6;/h4-6H,1-3H3;3-5H,1-2H3,(H,11,12);/q;;+1/p-1
InChIKeyYWSXGFAXNCRWMA-UHFFFAOYSA-M
XLogP-3.77
TPSA157.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 5-3.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Zinc Picolinate
CID 9904746
Copper(II) picolinate
CID 14963587
Iron(2+) dipyridine-2-carboxylate
CID 57376973
Methyl 5-(chlorosulfonyl)pyridine-2-carboxylate
CID 55279599
5-Sulfamoylpyridine-2-carboxylic acid
CID 57336589
5-(Fluorosulfonyl)pyridine-2-carboxylic acid
CID 165757547
Calcium dipicolinate trihydrate
CID 129655055
Pyridine-2-carboxylate;silver
CID 13898161
4-Sulfamoylpyridine-2-carboxylic acid
CID 57336588
5-[Bis(pyridin-2-ylmethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 2810319
Lead picolinate
CID 16706771
[Methyl(pyridine-2-carbonyloxy)amino] pyridine-2-carboxylate
CID 53824947

Frequently Asked Questions

What is the IUPAC name of sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate?
The IUPAC name of sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate (CID 157495635) is sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate.
What is the SMILES notation for sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate?
The canonical SMILES for sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate is CC(=O)c1ccc(S(=O)(=O)N(C)C)cn1.CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1.[Na+].
What is the InChIKey of sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate?
The InChIKey is YWSXGFAXNCRWMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O3S.C8H10N2O4S.Na/c1-7(12)9-5-4-8(6-10-9)15(13,14)11(2)3;1-10(2)15(13,14)6-3-4-7(8(11)12)9-5-6;/h4-6H,1-3H3;3-5H,1-2H3,(H,11,12);/q;;+1/p-1.
What are the key properties of sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate?
sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate has a molecular weight of 480.50 g/mol, XLogP of -3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 157495635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).