3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H19BrN2O5S2 — CID 3420390

IUPAC3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O5S2/c18-14-3-7-15(8-4-14)26(22,23)12-10-17(21)20-11-9-13-1-5-16(6-2-13)27(19,24)25/h1-8H,9-12H2,(H,20,21)(H2,19,24,25)
InChIKeyPFYSAGMLZNMZOH-UHFFFAOYSA-N
MW475.39 g/mol
LogP1.62
Rot. Bonds8

About 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 3420390) has the molecular formula C17H19BrN2O5S2 and a molecular weight of 475.39 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID3420390
Molecular FormulaC17H19BrN2O5S2
Molecular Weight475.39 g/mol
Exact Mass473.99
IUPAC Name3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O5S2/c18-14-3-7-15(8-4-14)26(22,23)12-10-17(21)20-11-9-13-1-5-16(6-2-13)27(19,24)25/h1-8H,9-12H2,(H,20,21)(H2,19,24,25)
InChIKeyPFYSAGMLZNMZOH-UHFFFAOYSA-N
XLogP1.62
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 3420390) is 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is PFYSAGMLZNMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S2/c18-14-3-7-15(8-4-14)26(22,23)12-10-17(21)20-11-9-13-1-5-16(6-2-13)27(19,24)25/h1-8H,9-12H2,(H,20,21)(H2,19,24,25).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 475.39 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 3420390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).