cyclobutane;(2-methylphenyl)sulfonylurea

C12H18N2O3S — CID 20975377

IUPACcyclobutane;(2-methylphenyl)sulfonylurea
SMILESC1CCC1.Cc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C8H10N2O3S.C4H8/c1-6-4-2-3-5-7(6)14(12,13)10-8(9)11;1-2-4-3-1/h2-5H,1H3,(H3,9,10,11);1-4H2
InChIKeyKAKYMHXHFBQAFJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.91
Rot. Bonds2

About cyclobutane;(2-methylphenyl)sulfonylurea

cyclobutane;(2-methylphenyl)sulfonylurea (PubChem CID 20975377) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is cyclobutane;(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Namecyclobutane;(2-methylphenyl)sulfonylurea
PubChem CID20975377
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namecyclobutane;(2-methylphenyl)sulfonylurea
SMILESC1CCC1.Cc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C8H10N2O3S.C4H8/c1-6-4-2-3-5-7(6)14(12,13)10-8(9)11;1-2-4-3-1/h2-5H,1H3,(H3,9,10,11);1-4H2
InChIKeyKAKYMHXHFBQAFJ-UHFFFAOYSA-N
XLogP1.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)sulfonylurea
CID 20975378
[2-(hydroxyamino)phenyl]sulfonylurea
CID 174363947
(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
CID 47108856
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77077380
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
[2-(4-methylpyrimidin-2-yl)phenyl]sulfonylurea
CID 118046361
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
(2R)-2-acetamido-2-cyclopentyl-N-(2-methylphenyl)sulfonylacetamide
CID 94186604
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
4-ethyl-N-(2-methylphenyl)sulfonyl-1,3-dihydropyrazole-2-carboxamide
CID 54374088

Frequently Asked Questions

What is the IUPAC name of cyclobutane;(2-methylphenyl)sulfonylurea?
The IUPAC name of cyclobutane;(2-methylphenyl)sulfonylurea (CID 20975377) is cyclobutane;(2-methylphenyl)sulfonylurea.
What is the SMILES notation for cyclobutane;(2-methylphenyl)sulfonylurea?
The canonical SMILES for cyclobutane;(2-methylphenyl)sulfonylurea is C1CCC1.Cc1ccccc1S(=O)(=O)NC(N)=O.
What is the InChIKey of cyclobutane;(2-methylphenyl)sulfonylurea?
The InChIKey is KAKYMHXHFBQAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S.C4H8/c1-6-4-2-3-5-7(6)14(12,13)10-8(9)11;1-2-4-3-1/h2-5H,1H3,(H3,9,10,11);1-4H2.
What are the key properties of cyclobutane;(2-methylphenyl)sulfonylurea?
cyclobutane;(2-methylphenyl)sulfonylurea has a molecular weight of 270.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 20975377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).