N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C30H24Cl2N2O4S — CID 10793337

IUPACN,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H24Cl2N2O4S/c1-21-29(34(30(35)38-21)25-14-17-27(31)28(32)18-25)24-12-15-26(16-13-24)39(36,37)33(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-18H,19-20H2,1H3
InChIKeyBGSZDYHYOGXTLF-UHFFFAOYSA-N
MW579.51 g/mol
LogP7.10
Rot. Bonds8

About N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10793337) has the molecular formula C30H24Cl2N2O4S and a molecular weight of 579.51 g/mol. Its IUPAC name is N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10793337
Molecular FormulaC30H24Cl2N2O4S
Molecular Weight579.51 g/mol
Exact Mass578.08
IUPAC NameN,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H24Cl2N2O4S/c1-21-29(34(30(35)38-21)25-14-17-27(31)28(32)18-25)24-12-15-26(16-13-24)39(36,37)33(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-18H,19-20H2,1H3
InChIKeyBGSZDYHYOGXTLF-UHFFFAOYSA-N
XLogP7.10
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.51
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 158934913
N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10529712
N,N-dibenzyl-4-[3-(4-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10720596
N,N-dibenzyl-4-[3-(4-chlorophenyl)-2-methylsulfanylimidazol-4-yl]benzenesulfonamide
CID 139217178
N,N-dibenzyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 56833773
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N,N-dibenzyl-4-[2-ethylsulfanyl-3-(4-methylphenyl)imidazol-4-yl]benzenesulfonamide
CID 139217175
N,N-dibenzyl-4-[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 23658868
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 71623285
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
N-benzyl-N-[(4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123162649
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10793337) is N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is BGSZDYHYOGXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N2O4S/c1-21-29(34(30(35)38-21)25-14-17-27(31)28(32)18-25)24-12-15-26(16-13-24)39(36,37)33(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-18H,19-20H2,1H3.
What are the key properties of N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 579.51 g/mol, XLogP of 7.10, 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-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10793337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).