1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea

C14H11ClF2N2OS — CID 4852232

IUPAC1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
SMILESO=C(Nc1ccc(SC(F)F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClF2N2OS/c15-11-3-1-2-4-12(11)19-14(20)18-9-5-7-10(8-6-9)21-13(16)17/h1-8,13H,(H2,18,19,20)
InChIKeyBFLKXANCRHRZDA-UHFFFAOYSA-N
MW328.77 g/mol
LogP5.30
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea

1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea (PubChem CID 4852232) has the molecular formula C14H11ClF2N2OS and a molecular weight of 328.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
PubChem CID4852232
Molecular FormulaC14H11ClF2N2OS
Molecular Weight328.77 g/mol
Exact Mass328.02
IUPAC Name1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
SMILESO=C(Nc1ccc(SC(F)F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClF2N2OS/c15-11-3-1-2-4-12(11)19-14(20)18-9-5-7-10(8-6-9)21-13(16)17/h1-8,13H,(H2,18,19,20)
InChIKeyBFLKXANCRHRZDA-UHFFFAOYSA-N
XLogP5.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.77
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9098703
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
1-(2-chloroethyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 2327059
N-[4-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22778942
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
CID 9099106
1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
CID 47070264
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
2-chloro-N'-[4-(difluoromethylsulfanyl)benzoyl]benzohydrazide
CID 35930248
1-[4-(4-aminophenyl)sulfanylphenyl]-3-(2,3-dichlorophenyl)urea
CID 57150049

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea (CID 4852232) is 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea is O=C(Nc1ccc(SC(F)F)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea?
The InChIKey is BFLKXANCRHRZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2OS/c15-11-3-1-2-4-12(11)19-14(20)18-9-5-7-10(8-6-9)21-13(16)17/h1-8,13H,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea?
1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea has a molecular weight of 328.77 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea is sourced from PubChem (CID 4852232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).