2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride

C13H11ClN2O4S — CID 43093324

IUPAC2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
SMILESCOc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H11ClN2O4S/c1-20-11-6-5-9(8-12(11)21(14,18)19)16-13(17)10-4-2-3-7-15-10/h2-8H,1H3,(H,16,17)
InChIKeyHLRKTMXQRJGJJY-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.27
Rot. Bonds4

About 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride

2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride (PubChem CID 43093324) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
PubChem CID43093324
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
SMILESCOc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H11ClN2O4S/c1-20-11-6-5-9(8-12(11)21(14,18)19)16-13(17)10-4-2-3-7-15-10/h2-8H,1H3,(H,16,17)
InChIKeyHLRKTMXQRJGJJY-UHFFFAOYSA-N
XLogP2.27
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
2-methoxy-5-(1H-pyrazole-5-carbonylamino)benzenesulfonyl chloride
CID 63084251
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914544
N-(4-methoxy-3-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 61068916

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride (CID 43093324) is 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride is COc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
The InChIKey is HLRKTMXQRJGJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-20-11-6-5-9(8-12(11)21(14,18)19)16-13(17)10-4-2-3-7-15-10/h2-8H,1H3,(H,16,17).
What are the key properties of 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride?
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride has a molecular weight of 326.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43093324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).