1-methylsulfonyl-1-phenylurea

C8H10N2O3S — CID 67458693

IUPAC1-methylsulfonyl-1-phenylurea
SMILESCS(=O)(=O)N(C(N)=O)c1ccccc1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyYEDUFKSYJMSGEF-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.53
Rot. Bonds2

About 1-methylsulfonyl-1-phenylurea

1-methylsulfonyl-1-phenylurea (PubChem CID 67458693) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-methylsulfonyl-1-phenylurea.

Molecular Properties

Compound Name1-methylsulfonyl-1-phenylurea
PubChem CID67458693
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name1-methylsulfonyl-1-phenylurea
SMILESCS(=O)(=O)N(C(N)=O)c1ccccc1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyYEDUFKSYJMSGEF-UHFFFAOYSA-N
XLogP0.53
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diphenylurea
CID 174849888
1-(dimethylsulfamoyl)-1-phenylthiourea
CID 87439400
1-phenyl-1-(phenylmethoxysulfamoyl)urea
CID 141334106
1-methyl-1-(N-methylanilino)urea
CID 154254582
butane;1,1-diphenylurea
CID 70397101
1-tert-butyl-1-phenylurea
CID 19102233
1-methoxy-1-phenylurea
CID 15620442
N-phenyl-N-sulfamoylheptadecanamide
CID 54212937
2-(N-methylsulfonylanilino)acetate
CID 2063945
N-(4-aminophenyl)-N-methylsulfonylacetamide
CID 71399736
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1-phenylurea?
The IUPAC name of 1-methylsulfonyl-1-phenylurea (CID 67458693) is 1-methylsulfonyl-1-phenylurea.
What is the SMILES notation for 1-methylsulfonyl-1-phenylurea?
The canonical SMILES for 1-methylsulfonyl-1-phenylurea is CS(=O)(=O)N(C(N)=O)c1ccccc1.
What is the InChIKey of 1-methylsulfonyl-1-phenylurea?
The InChIKey is YEDUFKSYJMSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-14(12,13)10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11).
What are the key properties of 1-methylsulfonyl-1-phenylurea?
1-methylsulfonyl-1-phenylurea has a molecular weight of 214.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-1-phenylurea is sourced from PubChem (CID 67458693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).