1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea

C16H18N2O3S — CID 780262

IUPAC1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-7-9-14(10-8-11)22(20,21)18-16(19)17-15-12(2)5-4-6-13(15)3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyKKAPXRNVTKUYBB-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.12
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea

1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 780262) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID780262
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-7-9-14(10-8-11)22(20,21)18-16(19)17-15-12(2)5-4-6-13(15)3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyKKAPXRNVTKUYBB-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-3-(p-toluenesulfonyl)urea
CID 847415
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
Urea, 1-phenyl-2-thio-3-(p-tolylsulfonyl)-
CID 726363
({[4-(Dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815701
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
4-{[(3,5-Dimethylphenyl)carbamoyl]amino}benzene-1-Sulfonamide
CID 27868075
1-(3-Propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
CID 27871218
4-[(3-Toluidinocarbonyl)amino]benzenesulfonamide
CID 310649
N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 262999
2',6'-Diethyl-p-toluenesulfonanilide
CID 731535

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea (CID 780262) is 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is KKAPXRNVTKUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-7-9-14(10-8-11)22(20,21)18-16(19)17-15-12(2)5-4-6-13(15)3/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 318.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 780262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).