1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea

C10H14N2O5S2 — CID 54774362

IUPAC1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O5S2/c1-18(14,15)8-7-11-10(13)12-19(16,17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12,13)
InChIKeyXKYFCISXHWJYRY-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.28
Rot. Bonds5

About 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea

1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea (PubChem CID 54774362) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea
PubChem CID54774362
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O5S2/c1-18(14,15)8-7-11-10(13)12-19(16,17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12,13)
InChIKeyXKYFCISXHWJYRY-UHFFFAOYSA-N
XLogP-0.28
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-pentylurea
CID 70503180
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea
CID 59052048
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
4-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206132

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea (CID 54774362) is 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea is CS(=O)(=O)CCNC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea?
The InChIKey is XKYFCISXHWJYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-18(14,15)8-7-11-10(13)12-19(16,17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea?
1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea has a molecular weight of 306.37 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 54774362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).