4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide

C16H14Cl2N2O3S — CID 109058531

IUPAC4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c1-2-9-19-16(21)11-3-6-13(7-4-11)24(22,23)20-12-5-8-14(17)15(18)10-12/h2-8,10,20H,1,9H2,(H,19,21)
InChIKeyPKCAXGBHMGGQHV-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.71
Rot. Bonds6

About 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide

4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 109058531) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID109058531
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c1-2-9-19-16(21)11-3-6-13(7-4-11)24(22,23)20-12-5-8-14(17)15(18)10-12/h2-8,10,20H,1,9H2,(H,19,21)
InChIKeyPKCAXGBHMGGQHV-UHFFFAOYSA-N
XLogP3.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-[(3,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058545
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058526
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide
CID 45268473
4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
CID 46389249
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 109058531) is 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is PKCAXGBHMGGQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-2-9-19-16(21)11-3-6-13(7-4-11)24(22,23)20-12-5-8-14(17)15(18)10-12/h2-8,10,20H,1,9H2,(H,19,21).
What are the key properties of 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide?
4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 385.27 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 109058531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).