1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea

C16H18ClN3O3S — CID 55910837

IUPAC1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-3-24(22,23)20-13-8-6-12(7-9-13)18-16(21)19-14-5-4-11(2)15(17)10-14/h4-10,20H,3H2,1-2H3,(H2,18,19,21)
InChIKeyWXQFGHGQUJMVMF-UHFFFAOYSA-N
MW367.86 g/mol
LogP4.05
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea

1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea (PubChem CID 55910837) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea
PubChem CID55910837
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-3-24(22,23)20-13-8-6-12(7-9-13)18-16(21)19-14-5-4-11(2)15(17)10-14/h4-10,20H,3H2,1-2H3,(H2,18,19,21)
InChIKeyWXQFGHGQUJMVMF-UHFFFAOYSA-N
XLogP4.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea (CID 55910837) is 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea is CCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea?
The InChIKey is WXQFGHGQUJMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-3-24(22,23)20-13-8-6-12(7-9-13)18-16(21)19-14-5-4-11(2)15(17)10-14/h4-10,20H,3H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea?
1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea has a molecular weight of 367.86 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[4-(ethylsulfonylamino)phenyl]urea is sourced from PubChem (CID 55910837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).