N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide

C22H24Cl2N2O4S — CID 4777944

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H24Cl2N2O4S/c1-3-13-26(14-4-2)31(28,29)19-10-8-18(9-11-19)25-22(27)6-5-15-30-21-12-7-17(23)16-20(21)24/h3-4,7-12,16H,1-2,5-6,13-15H2,(H,25,27)
InChIKeyWZLHTYFXBXNYEE-UHFFFAOYSA-N
MW483.42 g/mol
LogP5.15
Rot. Bonds12

About N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 4777944) has the molecular formula C22H24Cl2N2O4S and a molecular weight of 483.42 g/mol. Its IUPAC name is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
PubChem CID4777944
Molecular FormulaC22H24Cl2N2O4S
Molecular Weight483.42 g/mol
Exact Mass482.08
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H24Cl2N2O4S/c1-3-13-26(14-4-2)31(28,29)19-10-8-18(9-11-19)25-22(27)6-5-15-30-21-12-7-17(23)16-20(21)24/h3-4,7-12,16H,1-2,5-6,13-15H2,(H,25,27)
InChIKeyWZLHTYFXBXNYEE-UHFFFAOYSA-N
XLogP5.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 67990189
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 3568718
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
N-[4-[amino-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 67990188
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32943275
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide (CID 4777944) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is WZLHTYFXBXNYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O4S/c1-3-13-26(14-4-2)31(28,29)19-10-8-18(9-11-19)25-22(27)6-5-15-30-21-12-7-17(23)16-20(21)24/h3-4,7-12,16H,1-2,5-6,13-15H2,(H,25,27).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 483.42 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 4777944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).