6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid

C14H14N2O4S — CID 5263799

IUPAC6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-2-16(13-10-6-9-12(15-13)14(17)18)21(19,20)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyGFOWEJKPNYHQMS-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.00
Rot. Bonds5

About 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid

6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid (PubChem CID 5263799) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid
PubChem CID5263799
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-2-16(13-10-6-9-12(15-13)14(17)18)21(19,20)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyGFOWEJKPNYHQMS-UHFFFAOYSA-N
XLogP2.00
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[ethyl-(4-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263795
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963
6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122052746
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
CID 2415269
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 122054452
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
6-(benzenesulfonamido)pyridine-2-carboxylic acid
CID 5263740
6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142

Frequently Asked Questions

What is the IUPAC name of 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid (CID 5263799) is 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid is CCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is GFOWEJKPNYHQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-16(13-10-6-9-12(15-13)14(17)18)21(19,20)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid?
6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 5263799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).