N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C29H23FN2O4S — CID 10720596

IUPACN,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESO=c1occ(-c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C29H23FN2O4S/c30-25-13-15-26(16-14-25)32-28(21-36-29(32)33)24-11-17-27(18-12-24)37(34,35)31(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-18,21H,19-20H2
InChIKeyHXEXQPYQTBWKAH-UHFFFAOYSA-N
MW514.58 g/mol
LogP5.63
Rot. Bonds8

About N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10720596) has the molecular formula C29H23FN2O4S and a molecular weight of 514.58 g/mol. Its IUPAC name is N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10720596
Molecular FormulaC29H23FN2O4S
Molecular Weight514.58 g/mol
Exact Mass514.14
IUPAC NameN,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESO=c1occ(-c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C29H23FN2O4S/c30-25-13-15-26(16-14-25)32-28(21-36-29(32)33)24-11-17-27(18-12-24)37(34,35)31(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-18,21H,19-20H2
InChIKeyHXEXQPYQTBWKAH-UHFFFAOYSA-N
XLogP5.63
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10529712
N,N-dibenzyl-4-[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 23658868
N,N-dibenzyl-4-[3-(4-chlorophenyl)-2-methylsulfanylimidazol-4-yl]benzenesulfonamide
CID 139217178
N,N-dibenzyl-4-[2-ethylsulfanyl-3-(4-methylphenyl)imidazol-4-yl]benzenesulfonamide
CID 139217175
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
CID 20768022
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
4-[3-(3-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 67676277
N,N-dibenzyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 56833773
N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10793337
N-benzyl-4-fluoro-N-[[4-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 46886359
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 71623285
4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidobenzamide
CID 20967378

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10720596) is N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is O=c1occ(-c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is HXEXQPYQTBWKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O4S/c30-25-13-15-26(16-14-25)32-28(21-36-29(32)33)24-11-17-27(18-12-24)37(34,35)31(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-18,21H,19-20H2.
What are the key properties of N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 514.58 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10720596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).