N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide

C17H18ClN3O5S — CID 146559576

IUPACN-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C17H18ClN3O5S/c1-25-15-5-4-12(27(23,24)21-11-6-8-26-10-11)9-13(15)17(22)20-16-14(18)3-2-7-19-16/h2-5,7,9,11,21H,6,8,10H2,1H3,(H,19,20,22)
InChIKeyWCKVWDZLXHUQQJ-UHFFFAOYSA-N
MW411.87 g/mol
LogP2.06
Rot. Bonds6

About N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide

N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide (PubChem CID 146559576) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
PubChem CID146559576
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC NameN-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C17H18ClN3O5S/c1-25-15-5-4-12(27(23,24)21-11-6-8-26-10-11)9-13(15)17(22)20-16-14(18)3-2-7-19-16/h2-5,7,9,11,21H,6,8,10H2,1H3,(H,19,20,22)
InChIKeyWCKVWDZLXHUQQJ-UHFFFAOYSA-N
XLogP2.06
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(3-methyl-2-pyridinyl)-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559541
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255998
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide (CID 146559576) is N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide is COc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
The InChIKey is WCKVWDZLXHUQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-25-15-5-4-12(27(23,24)21-11-6-8-26-10-11)9-13(15)17(22)20-16-14(18)3-2-7-19-16/h2-5,7,9,11,21H,6,8,10H2,1H3,(H,19,20,22).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide has a molecular weight of 411.87 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 146559576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).