3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide

C22H17BrN2O4S — CID 30285125

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C22H17BrN2O4S/c1-3-15-5-4-6-19(13-15)24-22(26)16-7-12-20(29-2)21(14-16)30(27,28)25-18-10-8-17(23)9-11-18/h1,4-14,25H,2H3,(H,24,26)
InChIKeyJUYCHVFRGOAYTD-UHFFFAOYSA-N
MW485.36 g/mol
LogP4.49
Rot. Bonds6

About 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide

3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide (PubChem CID 30285125) has the molecular formula C22H17BrN2O4S and a molecular weight of 485.36 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
PubChem CID30285125
Molecular FormulaC22H17BrN2O4S
Molecular Weight485.36 g/mol
Exact Mass484.01
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C22H17BrN2O4S/c1-3-15-5-4-6-19(13-15)24-22(26)16-7-12-20(29-2)21(14-16)30(27,28)25-18-10-8-17(23)9-11-18/h1,4-14,25H,2H3,(H,24,26)
InChIKeyJUYCHVFRGOAYTD-UHFFFAOYSA-N
XLogP4.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide (CID 30285125) is 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide is C#Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide?
The InChIKey is JUYCHVFRGOAYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O4S/c1-3-15-5-4-6-19(13-15)24-22(26)16-7-12-20(29-2)21(14-16)30(27,28)25-18-10-8-17(23)9-11-18/h1,4-14,25H,2H3,(H,24,26).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide has a molecular weight of 485.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 30285125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).