1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea

C17H19ClN2O3S — CID 14480029

IUPAC1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea
SMILESCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1CC
InChIInChI=1S/C17H19ClN2O3S/c1-3-12-5-10-16(11-13(12)4-2)24(22,23)20-17(21)19-15-8-6-14(18)7-9-15/h5-11H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeySIZJWDWPHDPJFX-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea

1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea (PubChem CID 14480029) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea
PubChem CID14480029
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea
SMILESCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1CC
InChIInChI=1S/C17H19ClN2O3S/c1-3-12-5-10-16(11-13(12)4-2)24(22,23)20-17(21)19-15-8-6-14(18)7-9-15/h5-11H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeySIZJWDWPHDPJFX-UHFFFAOYSA-N
XLogP3.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea (CID 14480029) is 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea is CCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1CC.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea?
The InChIKey is SIZJWDWPHDPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-12-5-10-16(11-13(12)4-2)24(22,23)20-17(21)19-15-8-6-14(18)7-9-15/h5-11H,3-4H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea?
1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea has a molecular weight of 366.87 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-diethylphenyl)sulfonylurea is sourced from PubChem (CID 14480029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).