N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C18H18F2N2O5S — CID 146237287

IUPACN-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N2O5S/c1-26-17-3-2-15(28(24,25)22-13-4-5-27-10-13)9-16(17)18(23)21-14-7-11(19)6-12(20)8-14/h2-3,6-9,13,22H,4-5,10H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyXQCYQDPLFOCBCJ-ZDUSSCGKSA-N
MW412.41 g/mol
LogP2.29
Rot. Bonds6

About N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 146237287) has the molecular formula C18H18F2N2O5S and a molecular weight of 412.41 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID146237287
Molecular FormulaC18H18F2N2O5S
Molecular Weight412.41 g/mol
Exact Mass412.09
IUPAC NameN-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N2O5S/c1-26-17-3-2-15(28(24,25)22-13-4-5-27-10-13)9-16(17)18(23)21-14-7-11(19)6-12(20)8-14/h2-3,6-9,13,22H,4-5,10H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyXQCYQDPLFOCBCJ-ZDUSSCGKSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
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
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255998
N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237320
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-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 146237287) is N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is XQCYQDPLFOCBCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18F2N2O5S/c1-26-17-3-2-15(28(24,25)22-13-4-5-27-10-13)9-16(17)18(23)21-14-7-11(19)6-12(20)8-14/h2-3,6-9,13,22H,4-5,10H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 412.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 146237287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).