N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

C18H16N4O4S2 — CID 27978862

IUPACN-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1)N1CCNC1=O
InChIInChI=1S/C18H16N4O4S2/c23-16(21-11-10-19-17(21)24)12-22(28(25,26)13-6-2-1-3-7-13)18-20-14-8-4-5-9-15(14)27-18/h1-9H,10-12H2,(H,19,24)
InChIKeyOQNORAKFJLFRLA-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.04
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 27978862) has the molecular formula C18H16N4O4S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID27978862
Molecular FormulaC18H16N4O4S2
Molecular Weight416.48 g/mol
Exact Mass416.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1)N1CCNC1=O
InChIInChI=1S/C18H16N4O4S2/c23-16(21-11-10-19-17(21)24)12-22(28(25,26)13-6-2-1-3-7-13)18-20-14-8-4-5-9-15(14)27-18/h1-9H,10-12H2,(H,19,24)
InChIKeyOQNORAKFJLFRLA-UHFFFAOYSA-N
XLogP2.04
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide
CID 8537714
2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 9383386
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 43027224
N-(2-aminoethyl)-N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 44622187
4-[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]piperazine-1-carbaldehyde
CID 90605476
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
N-(2-aminoethyl)-N-(1,3-benzothiazol-2-yl)-3,4-dichlorobenzenesulfonamide
CID 44622190
2-[1,3-benzothiazol-2-yl(methyl)amino]-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71790234
1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one
CID 34906113
N-(1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934249
3-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 18583022
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (CID 27978862) is N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is O=C(CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1)N1CCNC1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is OQNORAKFJLFRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S2/c23-16(21-11-10-19-17(21)24)12-22(28(25,26)13-6-2-1-3-7-13)18-20-14-8-4-5-9-15(14)27-18/h1-9H,10-12H2,(H,19,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 416.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 27978862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).