1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea

C23H23Cl2N3O4S — CID 130453827

IUPAC1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea
SMILESO=C(NCCc1cccc(Cl)c1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C23H23Cl2N3O4S/c24-21-3-1-2-17(22(21)25)12-14-26-23(30)27-18-8-10-20(11-9-18)33(31,32)28-19-6-4-16(5-7-19)13-15-29/h1-11,28-29H,12-15H2,(H2,26,27,30)
InChIKeySHQJVQOLEZYARX-UHFFFAOYSA-N
MW508.43 g/mol
LogP4.69
Rot. Bonds9

About 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea

1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea (PubChem CID 130453827) has the molecular formula C23H23Cl2N3O4S and a molecular weight of 508.43 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea
PubChem CID130453827
Molecular FormulaC23H23Cl2N3O4S
Molecular Weight508.43 g/mol
Exact Mass507.08
IUPAC Name1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea
SMILESO=C(NCCc1cccc(Cl)c1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C23H23Cl2N3O4S/c24-21-3-1-2-17(22(21)25)12-14-26-23(30)27-18-8-10-20(11-9-18)33(31,32)28-19-6-4-16(5-7-19)13-15-29/h1-11,28-29H,12-15H2,(H2,26,27,30)
InChIKeySHQJVQOLEZYARX-UHFFFAOYSA-N
XLogP4.69
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.43
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea
CID 130447348
2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
1-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-(4-chlorophenyl)urea
CID 108782131
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
CID 47033294
2-(2-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 18159807
1-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-phenylethyl)thiourea
CID 25041224
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea?
The IUPAC name of 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea (CID 130453827) is 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea?
The canonical SMILES for 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea is O=C(NCCc1cccc(Cl)c1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(CCO)cc2)cc1.
What is the InChIKey of 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea?
The InChIKey is SHQJVQOLEZYARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O4S/c24-21-3-1-2-17(22(21)25)12-14-26-23(30)27-18-8-10-20(11-9-18)33(31,32)28-19-6-4-16(5-7-19)13-15-29/h1-11,28-29H,12-15H2,(H2,26,27,30).
What are the key properties of 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea?
1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea has a molecular weight of 508.43 g/mol, XLogP of 4.69, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenyl)ethyl]-3-[4-[[4-(2-hydroxyethyl)phenyl]sulfamoyl]phenyl]urea is sourced from PubChem (CID 130453827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).