3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide

C22H21BrN2O4S — CID 17342662

IUPAC3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H21BrN2O4S/c1-2-14-29-21-13-8-16(15-20(21)23)22(26)24-17-9-11-19(12-10-17)30(27,28)25-18-6-4-3-5-7-18/h3-13,15,25H,2,14H2,1H3,(H,24,26)
InChIKeyIAZSCALVOLVKQO-UHFFFAOYSA-N
MW489.39 g/mol
LogP5.29
Rot. Bonds8

About 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide

3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide (PubChem CID 17342662) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
PubChem CID17342662
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC Name3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H21BrN2O4S/c1-2-14-29-21-13-8-16(15-20(21)23)22(26)24-17-9-11-19(12-10-17)30(27,28)25-18-6-4-3-5-7-18/h3-13,15,25H,2,14H2,1H3,(H,24,26)
InChIKeyIAZSCALVOLVKQO-UHFFFAOYSA-N
XLogP5.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.39
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17342947
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-propoxybenzamide
CID 17343087
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
CID 17073799
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342800
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide (CID 17342662) is 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide?
The InChIKey is IAZSCALVOLVKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-2-14-29-21-13-8-16(15-20(21)23)22(26)24-17-9-11-19(12-10-17)30(27,28)25-18-6-4-3-5-7-18/h3-13,15,25H,2,14H2,1H3,(H,24,26).
What are the key properties of 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide?
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide has a molecular weight of 489.39 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17342662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).