1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea

C19H24Cl2N4O3S — CID 4839383

IUPAC1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N4O3S/c1-4-22-17-10-8-14(29(27,28)25(5-2)6-3)12-18(17)24-19(26)23-13-7-9-15(20)16(21)11-13/h7-12,22H,4-6H2,1-3H3,(H2,23,24,26)
InChIKeyNZTUHVWSLRCHKM-UHFFFAOYSA-N
MW459.40 g/mol
LogP5.10
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea

1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea (PubChem CID 4839383) has the molecular formula C19H24Cl2N4O3S and a molecular weight of 459.40 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
PubChem CID4839383
Molecular FormulaC19H24Cl2N4O3S
Molecular Weight459.40 g/mol
Exact Mass458.09
IUPAC Name1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N4O3S/c1-4-22-17-10-8-14(29(27,28)25(5-2)6-3)12-18(17)24-19(26)23-13-7-9-15(20)16(21)11-13/h7-12,22H,4-6H2,1-3H3,(H2,23,24,26)
InChIKeyNZTUHVWSLRCHKM-UHFFFAOYSA-N
XLogP5.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.40
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea
CID 2963637
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 78869822
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
4-[[2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]acetyl]amino]benzamide
CID 24510878
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea (CID 4839383) is 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea?
The InChIKey is NZTUHVWSLRCHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3S/c1-4-22-17-10-8-14(29(27,28)25(5-2)6-3)12-18(17)24-19(26)23-13-7-9-15(20)16(21)11-13/h7-12,22H,4-6H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea?
1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea has a molecular weight of 459.40 g/mol, XLogP of 5.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea is sourced from PubChem (CID 4839383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).