6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid

C13H20N2O5S — CID 63873369

IUPAC6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H20N2O5S/c1-4-10(2)15(7-8-20-3)21(18,19)12-6-5-11(9-14-12)13(16)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyUWYQXKFODNHECI-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.22
Rot. Bonds8

About 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid

6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63873369) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63873369
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCC(C)N(CCOC)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H20N2O5S/c1-4-10(2)15(7-8-20-3)21(18,19)12-6-5-11(9-14-12)13(16)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyUWYQXKFODNHECI-UHFFFAOYSA-N
XLogP1.22
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873954
5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 61066900
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63872994
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
CID 62151483
6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873942
6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874134
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 55137664
N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide
CID 62157610
4-bromo-N-butan-2-yl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 116528510
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61060900
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028

Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63873369) is 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid is CCC(C)N(CCOC)S(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is UWYQXKFODNHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-4-10(2)15(7-8-20-3)21(18,19)12-6-5-11(9-14-12)13(16)17/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63873369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).