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

C15H16ClN3O4S — CID 84576032

IUPAC2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O4S/c1-23-14-9-11(8-13(16)19-14)15(20)18-7-6-10-2-4-12(5-3-10)24(17,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyOBRAEQDOYAMGEL-UHFFFAOYSA-N
MW369.83 g/mol
LogP1.36
Rot. Bonds6

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

2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 84576032) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID84576032
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O4S/c1-23-14-9-11(8-13(16)19-14)15(20)18-7-6-10-2-4-12(5-3-10)24(17,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyOBRAEQDOYAMGEL-UHFFFAOYSA-N
XLogP1.36
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17257152
2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109323530
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (CID 84576032) is 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is OBRAEQDOYAMGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c1-23-14-9-11(8-13(16)19-14)15(20)18-7-6-10-2-4-12(5-3-10)24(17,21)22/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 84576032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).