4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide

C21H24Cl2N2O3S — CID 4262139

IUPAC4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1Cl
InChIInChI=1S/C21H24Cl2N2O3S/c1-4-13-25(18-8-6-17(22)7-9-18)29(27,28)20-14-16(5-10-19(20)23)21(26)24-12-11-15(2)3/h4-10,14-15H,1,11-13H2,2-3H3,(H,24,26)
InChIKeySENOYKJTTMGRTA-UHFFFAOYSA-N
MW455.41 g/mol
LogP5.15
Rot. Bonds9

About 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide

4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide (PubChem CID 4262139) has the molecular formula C21H24Cl2N2O3S and a molecular weight of 455.41 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide
PubChem CID4262139
Molecular FormulaC21H24Cl2N2O3S
Molecular Weight455.41 g/mol
Exact Mass454.09
IUPAC Name4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1Cl
InChIInChI=1S/C21H24Cl2N2O3S/c1-4-13-25(18-8-6-17(22)7-9-18)29(27,28)20-14-16(5-10-19(20)23)21(26)24-12-11-15(2)3/h4-10,14-15H,1,11-13H2,2-3H3,(H,24,26)
InChIKeySENOYKJTTMGRTA-UHFFFAOYSA-N
XLogP5.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 55.15
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

4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655382
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 46810520
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
[(1R)-1-cyanoethyl] 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2617618
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 4857026
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
[2-(4-tert-butylanilino)-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2416304
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide (CID 4262139) is 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide is C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide?
The InChIKey is SENOYKJTTMGRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S/c1-4-13-25(18-8-6-17(22)7-9-18)29(27,28)20-14-16(5-10-19(20)23)21(26)24-12-11-15(2)3/h4-10,14-15H,1,11-13H2,2-3H3,(H,24,26).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide?
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide has a molecular weight of 455.41 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 4262139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).