1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane

C19H28N2O3S — CID 91616190

IUPAC1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
SMILESCC.CC.Cc1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C15H16N2O3S.2C2H6/c1-11-8-9-13(10-12(11)2)16-15(18)17-21(19,20)14-6-4-3-5-7-14;2*1-2/h3-10H,1-2H3,(H2,16,17,18);2*1-2H3
InChIKeyWFNBCMDBLWRAES-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.87
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane

1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane (PubChem CID 91616190) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
PubChem CID91616190
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
SMILESCC.CC.Cc1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C15H16N2O3S.2C2H6/c1-11-8-9-13(10-12(11)2)16-15(18)17-21(19,20)14-6-4-3-5-7-14;2*1-2/h3-10H,1-2H3,(H2,16,17,18);2*1-2H3
InChIKeyWFNBCMDBLWRAES-UHFFFAOYSA-N
XLogP4.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea
CID 46382570
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane?
The IUPAC name of 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane (CID 91616190) is 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane?
The canonical SMILES for 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane is CC.CC.Cc1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane?
The InChIKey is WFNBCMDBLWRAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S.2C2H6/c1-11-8-9-13(10-12(11)2)16-15(18)17-21(19,20)14-6-4-3-5-7-14;2*1-2/h3-10H,1-2H3,(H2,16,17,18);2*1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane?
1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane has a molecular weight of 364.51 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane is sourced from PubChem (CID 91616190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).