N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide

C17H18BrClN2O4S — CID 43890368

IUPACN-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O4S/c1-3-25-15-9-6-13(19)10-16(15)26(23,24)21-11(2)17(22)20-14-7-4-12(18)5-8-14/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyPIWQFZZUVAHFEN-UHFFFAOYSA-N
MW461.77 g/mol
LogP3.81
Rot. Bonds7

About N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide

N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 43890368) has the molecular formula C17H18BrClN2O4S and a molecular weight of 461.77 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID43890368
Molecular FormulaC17H18BrClN2O4S
Molecular Weight461.77 g/mol
Exact Mass459.99
IUPAC NameN-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O4S/c1-3-25-15-9-6-13(19)10-16(15)26(23,24)21-11(2)17(22)20-14-7-4-12(18)5-8-14/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyPIWQFZZUVAHFEN-UHFFFAOYSA-N
XLogP3.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.77
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzamide
CID 43890408
methyl 4-[2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanoylamino]benzoate
CID 43890406
N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide
CID 28560519
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 43890350
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 43890349
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-chlorophenyl)-3-phenylpropanamide
CID 43890974
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
CID 43890329
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 43890957
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890415

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide (CID 43890368) is N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is PIWQFZZUVAHFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O4S/c1-3-25-15-9-6-13(19)10-16(15)26(23,24)21-11(2)17(22)20-14-7-4-12(18)5-8-14/h4-11,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide?
N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 461.77 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).