N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C18H18F2N2O4S — CID 118396948

IUPACN-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCc1c(F)ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-15(19)5-6-16(17(11)20)21-18(23)12-3-2-4-14(9-12)27(24,25)22-13-7-8-26-10-13/h2-6,9,13,22H,7-8,10H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyLKAYZPMXQXWSGB-ZDUSSCGKSA-N
MW396.42 g/mol
LogP2.59
Rot. Bonds5

About N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 118396948) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID118396948
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC NameN-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCc1c(F)ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-15(19)5-6-16(17(11)20)21-18(23)12-3-2-4-14(9-12)27(24,25)22-13-7-8-26-10-13/h2-6,9,13,22H,7-8,10H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyLKAYZPMXQXWSGB-ZDUSSCGKSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 118396948) is N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is Cc1c(F)ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H]3CCOC3)c2)c1F.
What is the InChIKey of N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is LKAYZPMXQXWSGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-11-15(19)5-6-16(17(11)20)21-18(23)12-3-2-4-14(9-12)27(24,25)22-13-7-8-26-10-13/h2-6,9,13,22H,7-8,10H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 118396948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).