3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea

C21H17Cl2F2N3O3S — CID 42705425

IUPAC3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17Cl2F2N3O3S/c22-19-10-5-16(13-20(19)23)27-21(29)28(17-6-1-14(24)2-7-17)12-11-26-32(30,31)18-8-3-15(25)4-9-18/h1-10,13,26H,11-12H2,(H,27,29)
InChIKeySFRLTBGDOXRGHL-UHFFFAOYSA-N
MW500.35 g/mol
LogP5.29
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea

3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea (PubChem CID 42705425) has the molecular formula C21H17Cl2F2N3O3S and a molecular weight of 500.35 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea
PubChem CID42705425
Molecular FormulaC21H17Cl2F2N3O3S
Molecular Weight500.35 g/mol
Exact Mass499.03
IUPAC Name3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17Cl2F2N3O3S/c22-19-10-5-16(13-20(19)23)27-21(29)28(17-6-1-14(24)2-7-17)12-11-26-32(30,31)18-8-3-15(25)4-9-18/h1-10,13,26H,11-12H2,(H,27,29)
InChIKeySFRLTBGDOXRGHL-UHFFFAOYSA-N
XLogP5.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.35
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
CID 42657265
3-(3,4-dichlorophenyl)-1-[3-[(4-fluorophenyl)sulfonylamino]propyl]-1-phenylurea
CID 42705928
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
1-[3-[(4-chloro-3-nitrophenyl)sulfonylamino]propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea
CID 42657227
1-[3-(butylcarbamoylamino)propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
CID 42704685
1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1-(4-phenoxyphenyl)urea
CID 42657933
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
3-(3,4-dichlorophenyl)-1-[3-[(3-fluorophenyl)carbamoylamino]propyl]-1-phenylurea
CID 42705924

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea (CID 42705425) is 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea is O=C(Nc1ccc(Cl)c(Cl)c1)N(CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea?
The InChIKey is SFRLTBGDOXRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F2N3O3S/c22-19-10-5-16(13-20(19)23)27-21(29)28(17-6-1-14(24)2-7-17)12-11-26-32(30,31)18-8-3-15(25)4-9-18/h1-10,13,26H,11-12H2,(H,27,29).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea?
3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea has a molecular weight of 500.35 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)sulfonylamino]ethyl]urea is sourced from PubChem (CID 42705425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).