1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea

C15H15ClN2OS — CID 10733501

IUPAC1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea
SMILESCc1cc(C)cc(SNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2OS/c1-10-7-11(2)9-14(8-10)20-18-15(19)17-13-5-3-12(16)4-6-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyHDDCROSVCSHYAY-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea

1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea (PubChem CID 10733501) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea
PubChem CID10733501
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea
SMILESCc1cc(C)cc(SNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2OS/c1-10-7-11(2)9-14(8-10)20-18-15(19)17-13-5-3-12(16)4-6-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyHDDCROSVCSHYAY-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981473
1,3-bis[3-(4-chloroanilino)sulfanyl-4-methylphenyl]urea
CID 144610213
1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909875
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-[(4-chlorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918716
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
N-[4-[[3,5-dichloro-4-(cyanomethoxy)phenyl]sulfanylcarbamoylamino]phenyl]acetamide
CID 18476476
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea (CID 10733501) is 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea is Cc1cc(C)cc(SNC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea?
The InChIKey is HDDCROSVCSHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10-7-11(2)9-14(8-10)20-18-15(19)17-13-5-3-12(16)4-6-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea?
1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea has a molecular weight of 306.82 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,5-dimethylphenyl)sulfanylurea is sourced from PubChem (CID 10733501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).