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

C17H21N3O5S2 — CID 27538225

IUPAC3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21N3O5S2/c18-26(22,23)15-8-6-14(7-9-15)10-12-19-17(21)11-13-20-27(24,25)16-4-2-1-3-5-16/h1-9,20H,10-13H2,(H,19,21)(H2,18,22,23)
InChIKeyKLCDGIUIECPXBI-UHFFFAOYSA-N
MW411.51 g/mol
LogP0.36
Rot. Bonds9

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

3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 27538225) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID27538225
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21N3O5S2/c18-26(22,23)15-8-6-14(7-9-15)10-12-19-17(21)11-13-20-27(24,25)16-4-2-1-3-5-16/h1-9,20H,10-13H2,(H,19,21)(H2,18,22,23)
InChIKeyKLCDGIUIECPXBI-UHFFFAOYSA-N
XLogP0.36
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
3-(benzenesulfonamido)-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 52703842
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 27538225) is 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is KLCDGIUIECPXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c18-26(22,23)15-8-6-14(7-9-15)10-12-19-17(21)11-13-20-27(24,25)16-4-2-1-3-5-16/h1-9,20H,10-13H2,(H,19,21)(H2,18,22,23).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 411.51 g/mol, XLogP of 0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 27538225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).