1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide

C16H12Cl2N2O3S — CID 112503135

IUPAC1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H12Cl2N2O3S/c17-13-5-1-11(2-6-13)10-24(21,22)20-16-9-15(19-23-16)12-3-7-14(18)8-4-12/h1-9,20H,10H2
InChIKeyGARXXTCQJVESGZ-UHFFFAOYSA-N
MW383.26 g/mol
LogP4.59
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide

1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide (PubChem CID 112503135) has the molecular formula C16H12Cl2N2O3S and a molecular weight of 383.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
PubChem CID112503135
Molecular FormulaC16H12Cl2N2O3S
Molecular Weight383.26 g/mol
Exact Mass381.99
IUPAC Name1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H12Cl2N2O3S/c17-13-5-1-11(2-6-13)10-24(21,22)20-16-9-15(19-23-16)12-3-7-14(18)8-4-12/h1-9,20H,10H2
InChIKeyGARXXTCQJVESGZ-UHFFFAOYSA-N
XLogP4.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 112503109
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 112503125
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide
CID 112503122
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
CID 110402597
1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110302343
1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid
CID 3924701
3-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-1,2-oxazol-5-amine
CID 110826703
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
1-(4-chlorophenyl)-N-(5-phenyl-2-pyridinyl)methanesulfonamide
CID 110634684
4-[2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]acetyl]-N,N-diethylbenzenesulfonamide
CID 110827927

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide (CID 112503135) is 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
The InChIKey is GARXXTCQJVESGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3S/c17-13-5-1-11(2-6-13)10-24(21,22)20-16-9-15(19-23-16)12-3-7-14(18)8-4-12/h1-9,20H,10H2.
What are the key properties of 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide has a molecular weight of 383.26 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide is sourced from PubChem (CID 112503135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).