N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide

C17H13F2N3O4S — CID 109061835

IUPACN-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)Nc3c(F)cccc3F)cc2)no1
InChIInChI=1S/C17H13F2N3O4S/c1-10-9-15(21-26-10)22-27(24,25)12-7-5-11(6-8-12)17(23)20-16-13(18)3-2-4-14(16)19/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyWFXFQCISGBDIMF-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.31
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide

N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide (PubChem CID 109061835) has the molecular formula C17H13F2N3O4S and a molecular weight of 393.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
PubChem CID109061835
Molecular FormulaC17H13F2N3O4S
Molecular Weight393.37 g/mol
Exact Mass393.06
IUPAC NameN-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)Nc3c(F)cccc3F)cc2)no1
InChIInChI=1S/C17H13F2N3O4S/c1-10-9-15(21-26-10)22-27(24,25)12-7-5-11(6-8-12)17(23)20-16-13(18)3-2-4-14(16)19/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyWFXFQCISGBDIMF-UHFFFAOYSA-N
XLogP3.31
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 109061783
N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792
N-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109058391
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
2-fluoro-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4950384
3-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7542035
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109060619
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409
3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1010376

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide (CID 109061835) is N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide is Cc1cc(NS(=O)(=O)c2ccc(C(=O)Nc3c(F)cccc3F)cc2)no1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The InChIKey is WFXFQCISGBDIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O4S/c1-10-9-15(21-26-10)22-27(24,25)12-7-5-11(6-8-12)17(23)20-16-13(18)3-2-4-14(16)19/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide has a molecular weight of 393.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 109061835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).