3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea

C11H16N2O3S — CID 15716436

IUPAC3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea
SMILESCCNC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O3S/c1-4-12-11(14)13(3)17(15,16)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyFKJIFVQOTBCGNU-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.35
Rot. Bonds3

About 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea

3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea (PubChem CID 15716436) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea
PubChem CID15716436
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea
SMILESCCNC(=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O3S/c1-4-12-11(14)13(3)17(15,16)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyFKJIFVQOTBCGNU-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
CID 15716439
methyl (Z)-2-[methyl-(4-methylphenyl)sulfonylamino]hept-2-enoate
CID 134958732
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-ethylacetamide
CID 30170440
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
3-butyl-1-methoxy-1-(4-methylphenyl)sulfonylurea
CID 18368785
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-methyl-N-(4-methylphenyl)sulfonyl-4-nitrobenzamide
CID 138964828
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N,4-dimethyl-N-[(2S)-4-oxopentan-2-yl]benzenesulfonamide
CID 11391555

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea?
The IUPAC name of 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea (CID 15716436) is 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea is CCNC(=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea?
The InChIKey is FKJIFVQOTBCGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-12-11(14)13(3)17(15,16)10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,12,14).
What are the key properties of 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea?
3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea has a molecular weight of 256.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 15716436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).