N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide

C22H21BrN2O4S — CID 17073799

IUPACN-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H21BrN2O4S/c1-2-29-21-13-8-17(14-20(21)23)22(26)25-18-9-11-19(12-10-18)30(27,28)24-15-16-6-4-3-5-7-16/h3-14,24H,2,15H2,1H3,(H,25,26)
InChIKeyBCEKNVCQNAIXBT-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.58
Rot. Bonds8

About N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide

N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide (PubChem CID 17073799) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
PubChem CID17073799
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H21BrN2O4S/c1-2-29-21-13-8-17(14-20(21)23)22(26)25-18-9-11-19(12-10-18)30(27,28)24-15-16-6-4-3-5-7-16/h3-14,24H,2,15H2,1H3,(H,25,26)
InChIKeyBCEKNVCQNAIXBT-UHFFFAOYSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
N-[4-(benzylsulfamoyl)phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 4928938
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17073769
3-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17074018
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4957701

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide (CID 17073799) is N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1Br.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide?
The InChIKey is BCEKNVCQNAIXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-2-29-21-13-8-17(14-20(21)23)22(26)25-18-9-11-19(12-10-18)30(27,28)24-15-16-6-4-3-5-7-16/h3-14,24H,2,15H2,1H3,(H,25,26).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide?
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide has a molecular weight of 489.39 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide is sourced from PubChem (CID 17073799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).