1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea

C12H15ClF3N3O3S — CID 118765522

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea
SMILESCN(C)S(=O)(=O)CCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H15ClF3N3O3S/c1-19(2)23(21,22)6-5-17-11(20)18-10-4-3-8(13)7-9(10)12(14,15)16/h3-4,7H,5-6H2,1-2H3,(H2,17,18,20)
InChIKeyQVEZIIWVCANHQA-UHFFFAOYSA-N
MW373.78 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea (PubChem CID 118765522) has the molecular formula C12H15ClF3N3O3S and a molecular weight of 373.78 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea
PubChem CID118765522
Molecular FormulaC12H15ClF3N3O3S
Molecular Weight373.78 g/mol
Exact Mass373.05
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea
SMILESCN(C)S(=O)(=O)CCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H15ClF3N3O3S/c1-19(2)23(21,22)6-5-17-11(20)18-10-4-3-8(13)7-9(10)12(14,15)16/h3-4,7H,5-6H2,1-2H3,(H2,17,18,20)
InChIKeyQVEZIIWVCANHQA-UHFFFAOYSA-N
XLogP2.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]-N-prop-2-ynylpropanamide
CID 49279774
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 4847009
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea (CID 118765522) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea is CN(C)S(=O)(=O)CCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea?
The InChIKey is QVEZIIWVCANHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O3S/c1-19(2)23(21,22)6-5-17-11(20)18-10-4-3-8(13)7-9(10)12(14,15)16/h3-4,7H,5-6H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea has a molecular weight of 373.78 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(dimethylsulfamoyl)ethyl]urea is sourced from PubChem (CID 118765522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).