4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide

C28H24Cl2N2O3S — CID 2768898

IUPAC4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CC1CC(c2ccccc2)N(c2ccccc2)O1)c1ccc(Cl)cc1
InChIInChI=1S/C28H24Cl2N2O3S/c29-22-11-15-24(16-12-22)31(36(33,34)27-17-13-23(30)14-18-27)20-26-19-28(21-7-3-1-4-8-21)32(35-26)25-9-5-2-6-10-25/h1-18,26,28H,19-20H2
InChIKeyBZXHAYAQSSHPHI-UHFFFAOYSA-N
MW539.48 g/mol
LogP7.14
Rot. Bonds7

About 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide

4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide (PubChem CID 2768898) has the molecular formula C28H24Cl2N2O3S and a molecular weight of 539.48 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide
PubChem CID2768898
Molecular FormulaC28H24Cl2N2O3S
Molecular Weight539.48 g/mol
Exact Mass538.09
IUPAC Name4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CC1CC(c2ccccc2)N(c2ccccc2)O1)c1ccc(Cl)cc1
InChIInChI=1S/C28H24Cl2N2O3S/c29-22-11-15-24(16-12-22)31(36(33,34)27-17-13-23(30)14-18-27)20-26-19-28(21-7-3-1-4-8-21)32(35-26)25-9-5-2-6-10-25/h1-18,26,28H,19-20H2
InChIKeyBZXHAYAQSSHPHI-UHFFFAOYSA-N
XLogP7.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
CID 11381971
ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 40815512
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 110753053
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide
CID 124836760
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624432
2-nitro-N-[[(2R)-oxiran-2-yl]methyl]-N-phenylbenzenesulfonamide
CID 847208
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
CID 1475349
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide (CID 2768898) is 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(CC1CC(c2ccccc2)N(c2ccccc2)O1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide?
The InChIKey is BZXHAYAQSSHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O3S/c29-22-11-15-24(16-12-22)31(36(33,34)27-17-13-23(30)14-18-27)20-26-19-28(21-7-3-1-4-8-21)32(35-26)25-9-5-2-6-10-25/h1-18,26,28H,19-20H2.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide?
4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide has a molecular weight of 539.48 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2768898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).