6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid

C13H11ClN4O7S2 — CID 10502993

IUPAC6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)cc1Cl
InChIInChI=1S/C13H11ClN4O7S2/c14-6-4-9(11(27(16,24)25)5-10(6)26(15,22)23)18-12(19)7-2-1-3-8(17-7)13(20)21/h1-5H,(H,18,19)(H,20,21)(H2,15,22,23)(H2,16,24,25)
InChIKeyGHLLKKRFLKIVSZ-UHFFFAOYSA-N
MW434.84 g/mol
LogP-0.02
Rot. Bonds5

About 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10502993) has the molecular formula C13H11ClN4O7S2 and a molecular weight of 434.84 g/mol. Its IUPAC name is 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10502993
Molecular FormulaC13H11ClN4O7S2
Molecular Weight434.84 g/mol
Exact Mass433.98
IUPAC Name6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)cc1Cl
InChIInChI=1S/C13H11ClN4O7S2/c14-6-4-9(11(27(16,24)25)5-10(6)26(15,22)23)18-12(19)7-2-1-3-8(17-7)13(20)21/h1-5H,(H,18,19)(H,20,21)(H2,15,22,23)(H2,16,24,25)
InChIKeyGHLLKKRFLKIVSZ-UHFFFAOYSA-N
XLogP-0.02
TPSA199.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.84
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 10502993) is 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccc(C(=O)O)n2)cc1Cl.
What is the InChIKey of 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is GHLLKKRFLKIVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O7S2/c14-6-4-9(11(27(16,24)25)5-10(6)26(15,22)23)18-12(19)7-2-1-3-8(17-7)13(20)21/h1-5H,(H,18,19)(H,20,21)(H2,15,22,23)(H2,16,24,25).
What are the key properties of 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 434.84 g/mol, XLogP of -0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2,4-disulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10502993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).