2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

C22H21BrN2O4S — CID 133228042

IUPAC2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H21BrN2O4S/c1-15(16-8-4-3-5-9-16)24-22(26)18-10-6-7-11-19(18)25-30(27,28)21-14-17(23)12-13-20(21)29-2/h3-15,25H,1-2H3,(H,24,26)
InChIKeyPPNSTNKODVQPRH-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.75
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (PubChem CID 133228042) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
PubChem CID133228042
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H21BrN2O4S/c1-15(16-8-4-3-5-9-16)24-22(26)18-10-6-7-11-19(18)25-30(27,28)21-14-17(23)12-13-20(21)29-2/h3-15,25H,1-2H3,(H,24,26)
InChIKeyPPNSTNKODVQPRH-UHFFFAOYSA-N
XLogP4.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 51557476
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24671753
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824572
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (CID 133228042) is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is PPNSTNKODVQPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-15(16-8-4-3-5-9-16)24-22(26)18-10-6-7-11-19(18)25-30(27,28)21-14-17(23)12-13-20(21)29-2/h3-15,25H,1-2H3,(H,24,26).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 489.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 133228042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).