1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea

C18H20Cl2N4O7S2 — CID 44587806

IUPAC1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea
SMILESO=C(NCCOCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20Cl2N4O7S2/c19-13-3-1-5-15(11-13)32(27,28)23-17(25)21-7-9-31-10-8-22-18(26)24-33(29,30)16-6-2-4-14(20)12-16/h1-6,11-12H,7-10H2,(H2,21,23,25)(H2,22,24,26)
InChIKeyRYSWFLBTSSLJCV-UHFFFAOYSA-N
MW539.42 g/mol
LogP1.69
Rot. Bonds10

About 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea

1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea (PubChem CID 44587806) has the molecular formula C18H20Cl2N4O7S2 and a molecular weight of 539.42 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea
PubChem CID44587806
Molecular FormulaC18H20Cl2N4O7S2
Molecular Weight539.42 g/mol
Exact Mass538.02
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea
SMILESO=C(NCCOCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20Cl2N4O7S2/c19-13-3-1-5-15(11-13)32(27,28)23-17(25)21-7-9-31-10-8-22-18(26)24-33(29,30)16-6-2-4-14(20)12-16/h1-6,11-12H,7-10H2,(H2,21,23,25)(H2,22,24,26)
InChIKeyRYSWFLBTSSLJCV-UHFFFAOYSA-N
XLogP1.69
TPSA159.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.42
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)sulfonyl-3-(2-sulfanylethyl)urea
CID 44587907
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
(3-chlorophenyl)sulfonylurea
CID 117060605
N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide
CID 114296046
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
CID 47269873
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111894153
1-(3-chlorophenyl)sulfonyl-3-propylthiourea
CID 119088818
[3-[6-[(3-acetyloxyphenyl)sulfonylcarbamoylamino]hexylcarbamoylsulfamoyl]phenyl] acetate
CID 24963668
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108901434

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea (CID 44587806) is 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea is O=C(NCCOCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea?
The InChIKey is RYSWFLBTSSLJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O7S2/c19-13-3-1-5-15(11-13)32(27,28)23-17(25)21-7-9-31-10-8-22-18(26)24-33(29,30)16-6-2-4-14(20)12-16/h1-6,11-12H,7-10H2,(H2,21,23,25)(H2,22,24,26).
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea?
1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea has a molecular weight of 539.42 g/mol, XLogP of 1.69, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea is sourced from PubChem (CID 44587806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).