N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide

C16H19N3O5S2 — CID 110601397

IUPACN-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H19N3O5S2/c1-13(20)18-14-6-5-7-15(12-14)19-25(21,22)11-10-17-26(23,24)16-8-3-2-4-9-16/h2-9,12,17,19H,10-11H2,1H3,(H,18,20)
InChIKeyUSJRZBVAEKYSPB-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.37
Rot. Bonds8

About N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide

N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide (PubChem CID 110601397) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide
PubChem CID110601397
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H19N3O5S2/c1-13(20)18-14-6-5-7-15(12-14)19-25(21,22)11-10-17-26(23,24)16-8-3-2-4-9-16/h2-9,12,17,19H,10-11H2,1H3,(H,18,20)
InChIKeyUSJRZBVAEKYSPB-UHFFFAOYSA-N
XLogP1.37
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
CID 110408312
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110408296
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
CID 110425766
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110416843
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
CID 142001104

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide (CID 110601397) is N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide?
The InChIKey is USJRZBVAEKYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-13(20)18-14-6-5-7-15(12-14)19-25(21,22)11-10-17-26(23,24)16-8-3-2-4-9-16/h2-9,12,17,19H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide?
N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide is sourced from PubChem (CID 110601397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).