6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

C14H14ClN3O3S — CID 2446892

IUPAC6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H14ClN3O3S/c15-13-6-3-11(9-18-13)14(19)17-8-7-10-1-4-12(5-2-10)22(16,20)21/h1-6,9H,7-8H2,(H,17,19)(H2,16,20,21)
InChIKeyMTDJMTUPCCKAAY-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.35
Rot. Bonds5

About 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 2446892) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID2446892
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H14ClN3O3S/c15-13-6-3-11(9-18-13)14(19)17-8-7-10-1-4-12(5-2-10)22(16,20)21/h1-6,9H,7-8H2,(H,17,19)(H2,16,20,21)
InChIKeyMTDJMTUPCCKAAY-UHFFFAOYSA-N
XLogP1.35
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 141754964
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CID 746813
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6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
6-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 2664862
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
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CID 857488
N3-Benzyl-2-chloronicotinamide
CID 2794855
Sulfonamide deriv., 7i
CID 44520905
4-pyridyl-N-[2-(4-sulfamoylphenyl)ethyl]carboxamide
CID 2108328
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2537444

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (CID 2446892) is 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is MTDJMTUPCCKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-13-6-3-11(9-18-13)14(19)17-8-7-10-1-4-12(5-2-10)22(16,20)21/h1-6,9H,7-8H2,(H,17,19)(H2,16,20,21).
What are the key properties of 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2446892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).