N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide

C17H19FN4O5S — CID 146237320

IUPACN-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1ncc(F)c(C)n1
InChIInChI=1S/C17H19FN4O5S/c1-10-14(18)8-19-17(20-10)21-16(23)13-7-12(3-4-15(13)26-2)28(24,25)22-11-5-6-27-9-11/h3-4,7-8,11,22H,5-6,9H2,1-2H3,(H,19,20,21,23)
InChIKeyNYDNLRRQGGDBIB-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.25
Rot. Bonds6

About N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide

N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide (PubChem CID 146237320) has the molecular formula C17H19FN4O5S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
PubChem CID146237320
Molecular FormulaC17H19FN4O5S
Molecular Weight410.43 g/mol
Exact Mass410.11
IUPAC NameN-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1ncc(F)c(C)n1
InChIInChI=1S/C17H19FN4O5S/c1-10-14(18)8-19-17(20-10)21-16(23)13-7-12(3-4-15(13)26-2)28(24,25)22-11-5-6-27-9-11/h3-4,7-8,11,22H,5-6,9H2,1-2H3,(H,19,20,21,23)
InChIKeyNYDNLRRQGGDBIB-UHFFFAOYSA-N
XLogP1.25
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255998
2-methoxy-N-(3-methyl-2-pyridinyl)-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559541
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
N-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)-2-methoxy-5-[[(3S)-oxolan-3-yl]methylsulfonyl]benzamide;N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-[[(3S)-oxolan-3-yl]methylsulfonyl]benzamide;sulfane
CID 161084195
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
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
N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
CID 146237340

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
The IUPAC name of N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide (CID 146237320) is N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide is COc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1ncc(F)c(C)n1.
What is the InChIKey of N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
The InChIKey is NYDNLRRQGGDBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O5S/c1-10-14(18)8-19-17(20-10)21-16(23)13-7-12(3-4-15(13)26-2)28(24,25)22-11-5-6-27-9-11/h3-4,7-8,11,22H,5-6,9H2,1-2H3,(H,19,20,21,23).
What are the key properties of N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide?
N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide has a molecular weight of 410.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 146237320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).