3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide

C17H20N2O5S2 — CID 17310169

IUPAC3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-2-18-26(23,24)16-10-8-14(9-11-16)19-17(20)12-13-25(21,22)15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyODUMXISQJYJGLB-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.79
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide

3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide (PubChem CID 17310169) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
PubChem CID17310169
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-2-18-26(23,24)16-10-8-14(9-11-16)19-17(20)12-13-25(21,22)15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyODUMXISQJYJGLB-UHFFFAOYSA-N
XLogP1.79
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide (CID 17310169) is 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide is CCNS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
The InChIKey is ODUMXISQJYJGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-2-18-26(23,24)16-10-8-14(9-11-16)19-17(20)12-13-25(21,22)15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17310169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).