1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea

C24H26ClN3O3S — CID 42703058

IUPAC1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCCN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H26ClN3O3S/c1-2-19-9-13-21(14-10-19)27-24(29)26-17-6-18-28(22-7-4-3-5-8-22)32(30,31)23-15-11-20(25)12-16-23/h3-5,7-16H,2,6,17-18H2,1H3,(H2,26,27,29)
InChIKeyGHIJJPNIXVCKMK-UHFFFAOYSA-N
MW472.01 g/mol
LogP5.31
Rot. Bonds9

About 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea

1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea (PubChem CID 42703058) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea
PubChem CID42703058
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC Name1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCCN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H26ClN3O3S/c1-2-19-9-13-21(14-10-19)27-24(29)26-17-6-18-28(22-7-4-3-5-8-22)32(30,31)23-15-11-20(25)12-16-23/h3-5,7-16H,2,6,17-18H2,1H3,(H2,26,27,29)
InChIKeyGHIJJPNIXVCKMK-UHFFFAOYSA-N
XLogP5.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.01
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
ethyl 4-[3-(N-(4-chlorophenyl)sulfonylanilino)propylamino]-4-oxobutanoate
CID 42703056
1-[3-(N-(4-chlorophenyl)sulfonyl-4-fluoroanilino)propyl]-3-(2-methylphenyl)urea
CID 42705753
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide
CID 42703053
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 53280578
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126145191
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-ethylphenyl)acetamide
CID 53281300
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea (CID 42703058) is 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCCCN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea?
The InChIKey is GHIJJPNIXVCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-2-19-9-13-21(14-10-19)27-24(29)26-17-6-18-28(22-7-4-3-5-8-22)32(30,31)23-15-11-20(25)12-16-23/h3-5,7-16H,2,6,17-18H2,1H3,(H2,26,27,29).
What are the key properties of 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea?
1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea has a molecular weight of 472.01 g/mol, XLogP of 5.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 42703058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).