N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C16H15Cl2NO3S — CID 102167641

IUPACN-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(/C(Cl)=C\Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-12-3-9-15(10-4-12)23(20,21)19(16(18)11-17)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3/b16-11-
InChIKeyDUWJEBDCPJEYHD-WJDWOHSUSA-N
MW372.27 g/mol
LogP4.48
Rot. Bonds5

About N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 102167641) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID102167641
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC NameN-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(/C(Cl)=C\Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-12-3-9-15(10-4-12)23(20,21)19(16(18)11-17)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3/b16-11-
InChIKeyDUWJEBDCPJEYHD-WJDWOHSUSA-N
XLogP4.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219311
N'-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylethanimidamide
CID 14640908
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411
N-[(E)-3-hydroxyprop-1-enyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 102471634
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylguanidine
CID 16682399
1-[4-[4-[carbamoyl-(4-methylphenyl)sulfonylamino]phenoxy]phenyl]-1-(4-methylphenyl)sulfonylurea
CID 19389530
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219066
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
CID 1242568
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 102167641) is N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(/C(Cl)=C\Cl)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is DUWJEBDCPJEYHD-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-12-3-9-15(10-4-12)23(20,21)19(16(18)11-17)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3/b16-11-.
What are the key properties of N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 372.27 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102167641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).