N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide

C18H18Cl2N2O3S — CID 7687450

IUPACN-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H18Cl2N2O3S/c1-3-11-22(12-16-17(19)5-4-6-18(16)20)26(24,25)15-9-7-14(8-10-15)21-13(2)23/h3-10H,1,11-12H2,2H3,(H,21,23)
InChIKeyPWUCTRUIQFBFHO-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide

N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide (PubChem CID 7687450) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
PubChem CID7687450
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H18Cl2N2O3S/c1-3-11-22(12-16-17(19)5-4-6-18(16)20)26(24,25)15-9-7-14(8-10-15)21-13(2)23/h3-10H,1,11-12H2,2H3,(H,21,23)
InChIKeyPWUCTRUIQFBFHO-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 9302371
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-2-chlorobenzamide
CID 1015661
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 4778328
2-(2,6-dichlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672915
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide (CID 7687450) is N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide is C=CCN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
The InChIKey is PWUCTRUIQFBFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-3-11-22(12-16-17(19)5-4-6-18(16)20)26(24,25)15-9-7-14(8-10-15)21-13(2)23/h3-10H,1,11-12H2,2H3,(H,21,23).
What are the key properties of N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide?
N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide has a molecular weight of 413.33 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 7687450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).