1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea

C18H16N2O3S — CID 2374251

IUPAC1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-9-11-15(12-10-13)24(22,23)20-18(21)19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKeyAGGHKNUIVOFYMO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.66
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea

1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea (PubChem CID 2374251) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea
PubChem CID2374251
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-9-11-15(12-10-13)24(22,23)20-18(21)19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKeyAGGHKNUIVOFYMO-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
Urea, 1-(1-naphthyl)-3-phenyl-
CID 239525
1-(Naphthalen-1-yl)-3-(m-tolyl)urea
CID 4196307
1-(3-Propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
CID 27871218
1-[2-(Methylsulfanyl)phenyl]-3-naphthalen-1-ylurea
CID 24819511
N4-Acetyl-N1-(1-naphthyl)sulfanilamide
CID 306209
1-(2,6-Dimethylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 780262
1-(2,4-Dimethylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 849718
Methyl[(4-methylphenyl)sulfonyl]-2-naphthylamine
CID 854268
1-(3,5-Dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
CID 2812298

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea (CID 2374251) is 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea?
The InChIKey is AGGHKNUIVOFYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-13-9-11-15(12-10-13)24(22,23)20-18(21)19-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H2,19,20,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea?
1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea has a molecular weight of 340.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylurea is sourced from PubChem (CID 2374251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).