1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea

C24H27FN4O3S — CID 70112392

IUPAC1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea
SMILESCN(C)CCCN(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C24H27FN4O3S/c1-28(2)17-8-18-29(27-33(31,32)21-9-4-3-5-10-21)24(30)26-20-15-13-19(14-16-20)22-11-6-7-12-23(22)25/h3-7,9-16,27H,8,17-18H2,1-2H3,(H,26,30)
InChIKeyZZXVDRFCVNBISY-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.17
Rot. Bonds9

About 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea

1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea (PubChem CID 70112392) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea.

Molecular Properties

Compound Name1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea
PubChem CID70112392
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea
SMILESCN(C)CCCN(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C24H27FN4O3S/c1-28(2)17-8-18-29(27-33(31,32)21-9-4-3-5-10-21)24(30)26-20-15-13-19(14-16-20)22-11-6-7-12-23(22)25/h3-7,9-16,27H,8,17-18H2,1-2H3,(H,26,30)
InChIKeyZZXVDRFCVNBISY-UHFFFAOYSA-N
XLogP4.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20782336
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CID 162181441
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
1-(benzenesulfonamido)-3-ethyl-1-methylurea
CID 75524147
3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324770
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide
CID 138674608
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide
CID 138674441

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea?
The IUPAC name of 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea (CID 70112392) is 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea.
What is the SMILES notation for 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea?
The canonical SMILES for 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea is CN(C)CCCN(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea?
The InChIKey is ZZXVDRFCVNBISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-28(2)17-8-18-29(27-33(31,32)21-9-4-3-5-10-21)24(30)26-20-15-13-19(14-16-20)22-11-6-7-12-23(22)25/h3-7,9-16,27H,8,17-18H2,1-2H3,(H,26,30).
What are the key properties of 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea?
1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea has a molecular weight of 470.57 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-1-[3-(dimethylamino)propyl]-3-[4-(2-fluorophenyl)phenyl]urea is sourced from PubChem (CID 70112392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).