3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide

C18H19BrN2O4S — CID 26641485

IUPAC3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O4S/c1-3-10-20-18(22)13-6-5-7-15(11-13)26(23,24)21-14-8-9-17(25-4-2)16(19)12-14/h3,5-9,11-12,21H,1,4,10H2,2H3,(H,20,22)
InChIKeyPCLMGLXYUCDBBP-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.56
Rot. Bonds8

About 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide

3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 26641485) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID26641485
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O4S/c1-3-10-20-18(22)13-6-5-7-15(11-13)26(23,24)21-14-8-9-17(25-4-2)16(19)12-14/h3,5-9,11-12,21H,1,4,10H2,2H3,(H,20,22)
InChIKeyPCLMGLXYUCDBBP-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044050
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 30881386
N-(3-bromo-4-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43001746
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 17466951
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
CID 15943188
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 26641485) is 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)c(Br)c2)c1.
What is the InChIKey of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is PCLMGLXYUCDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-3-10-20-18(22)13-6-5-7-15(11-13)26(23,24)21-14-8-9-17(25-4-2)16(19)12-14/h3,5-9,11-12,21H,1,4,10H2,2H3,(H,20,22).
What are the key properties of 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 439.33 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 26641485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).