1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea

C23H22ClFN4O3S — CID 3611470

IUPAC1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H22ClFN4O3S/c24-19-5-1-2-6-20(19)28-33(31,32)22-15-18(11-12-21(22)29-13-3-4-14-29)27-23(30)26-17-9-7-16(25)8-10-17/h1-2,5-12,15,28H,3-4,13-14H2,(H2,26,27,30)
InChIKeyNFDXVTYSXASBPD-UHFFFAOYSA-N
MW488.97 g/mol
LogP5.52
Rot. Bonds6

About 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea

1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea (PubChem CID 3611470) has the molecular formula C23H22ClFN4O3S and a molecular weight of 488.97 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea
PubChem CID3611470
Molecular FormulaC23H22ClFN4O3S
Molecular Weight488.97 g/mol
Exact Mass488.11
IUPAC Name1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H22ClFN4O3S/c24-19-5-1-2-6-20(19)28-33(31,32)22-15-18(11-12-21(22)29-13-3-4-14-29)27-23(30)26-17-9-7-16(25)8-10-17/h1-2,5-12,15,28H,3-4,13-14H2,(H2,26,27,30)
InChIKeyNFDXVTYSXASBPD-UHFFFAOYSA-N
XLogP5.52
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.97
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)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

5-amino-N-(2-chlorophenyl)-2-(piperidin-1-yl)benzene-1-sulfonamide
CID 3767555
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(3,4-dichlorophenyl)urea
CID 3650002
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4331202
1-(4-Chlorophenyl)-3-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]urea
CID 3650003
1-(3-Chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea
CID 122179680
1-(2-Chloro-5-pyrrolidin-1-ylsulfonylphenyl)-3-(4-nitrophenyl)urea
CID 3500248
1-(4-Chlorophenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 5034320
1-(3,5-Dichlorophenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 178323791
1-[3-[(4-Chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea
CID 4079411
1-(2-Chloro-5-piperidin-1-ylsulfonylphenyl)-3-(2-fluorophenyl)urea
CID 4595779
1-[3-[(4-Chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
CID 4799082
1-[2-Chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
CID 4854172

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea (CID 3611470) is 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
The InChIKey is NFDXVTYSXASBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O3S/c24-19-5-1-2-6-20(19)28-33(31,32)22-15-18(11-12-21(22)29-13-3-4-14-29)27-23(30)26-17-9-7-16(25)8-10-17/h1-2,5-12,15,28H,3-4,13-14H2,(H2,26,27,30).
What are the key properties of 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea has a molecular weight of 488.97 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 3611470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).