5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide

C13H12ClN3O4S — CID 175499222

IUPAC5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NS(=O)(=O)c2cccc(OCCl)c2)c1
InChIInChI=1S/C13H12ClN3O4S/c14-8-21-11-2-1-3-12(5-11)22(19,20)17-10-4-9(13(15)18)6-16-7-10/h1-7,17H,8H2,(H2,15,18)
InChIKeyACBFZVVVKXINMA-UHFFFAOYSA-N
MW341.78 g/mol
LogP1.56
Rot. Bonds6

About 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide

5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide (PubChem CID 175499222) has the molecular formula C13H12ClN3O4S and a molecular weight of 341.78 g/mol. Its IUPAC name is 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide
PubChem CID175499222
Molecular FormulaC13H12ClN3O4S
Molecular Weight341.78 g/mol
Exact Mass341.02
IUPAC Name5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NS(=O)(=O)c2cccc(OCCl)c2)c1
InChIInChI=1S/C13H12ClN3O4S/c14-8-21-11-2-1-3-12(5-11)22(19,20)17-10-4-9(13(15)18)6-16-7-10/h1-7,17H,8H2,(H2,15,18)
InChIKeyACBFZVVVKXINMA-UHFFFAOYSA-N
XLogP1.56
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 46345779
3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
CID 110872403
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
5-[(4-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 20910442
3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738706
5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 20910382
2-(3-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 7571434
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
CID 110872378
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
5-(benzenesulfonamido)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 20910390

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide (CID 175499222) is 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide is NC(=O)c1cncc(NS(=O)(=O)c2cccc(OCCl)c2)c1.
What is the InChIKey of 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
The InChIKey is ACBFZVVVKXINMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S/c14-8-21-11-2-1-3-12(5-11)22(19,20)17-10-4-9(13(15)18)6-16-7-10/h1-7,17H,8H2,(H2,15,18).
What are the key properties of 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide?
5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide has a molecular weight of 341.78 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(chloromethoxy)phenyl]sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 175499222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).