5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

C16H15N3O6S — CID 19928163

IUPAC5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C16H15N3O6S/c1-2-17-14(20)10-3-6-12(7-4-10)26(24,25)19-15(21)11-5-8-13(16(22)23)18-9-11/h3-9H,2H2,1H3,(H,17,20)(H,19,21)(H,22,23)
InChIKeyOUZABYLEHQFEHN-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.65
Rot. Bonds6

About 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 19928163) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID19928163
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC Name5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C16H15N3O6S/c1-2-17-14(20)10-3-6-12(7-4-10)26(24,25)19-15(21)11-5-8-13(16(22)23)18-9-11/h3-9H,2H2,1H3,(H,17,20)(H,19,21)(H,22,23)
InChIKeyOUZABYLEHQFEHN-UHFFFAOYSA-N
XLogP0.65
TPSA142.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712587
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
5-[[3-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 57079415
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid (CID 19928163) is 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid is CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OUZABYLEHQFEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-2-17-14(20)10-3-6-12(7-4-10)26(24,25)19-15(21)11-5-8-13(16(22)23)18-9-11/h3-9H,2H2,1H3,(H,17,20)(H,19,21)(H,22,23).
What are the key properties of 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid?
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 377.38 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 19928163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).