1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea

C25H21ClN4O3S — CID 88907437

IUPAC1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea
SMILESO=C(NCc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1)Nc1ccnc(Cl)c1
InChIInChI=1S/C25H21ClN4O3S/c26-24-16-21(14-15-27-24)29-25(31)28-17-18-10-12-20(13-11-18)30-34(32,33)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-16,30H,17H2,(H2,27,28,29,31)
InChIKeyOSDPMXNXYRMIQJ-UHFFFAOYSA-N
MW492.99 g/mol
LogP5.52
Rot. Bonds7

About 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea

1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea (PubChem CID 88907437) has the molecular formula C25H21ClN4O3S and a molecular weight of 492.99 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea
PubChem CID88907437
Molecular FormulaC25H21ClN4O3S
Molecular Weight492.99 g/mol
Exact Mass492.10
IUPAC Name1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea
SMILESO=C(NCc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1)Nc1ccnc(Cl)c1
InChIInChI=1S/C25H21ClN4O3S/c26-24-16-21(14-15-27-24)29-25(31)28-17-18-10-12-20(13-11-18)30-34(32,33)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-16,30H,17H2,(H2,27,28,29,31)
InChIKeyOSDPMXNXYRMIQJ-UHFFFAOYSA-N
XLogP5.52
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]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

1-[(3,5-dichlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71140307
N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide
CID 160887319
1-[[4-(dimethylamino)phenyl]methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71139051
imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium
CID 123878774
tert-butyl N-[[3-[[[4-[(2-phenylphenyl)sulfonylamino]phenyl]carbamoylamino]methyl]phenyl]methyl]carbamate
CID 149433895
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide
CID 86902692
1-[(4-fluorophenyl)methyl]-3-(2-phenylphenyl)sulfonylurea
CID 142661395
1-[(6-chloro-3-pyridinyl)methyl]-3-[4-[(2-phenylphenoxy)methyl]phenyl]urea
CID 88907391
1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea
CID 152746535
1-[4-[2-(3-methoxyphenyl)phenyl]sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223135
1-[(4-chlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfanylamino]phenyl]urea
CID 123573415
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222969

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea (CID 88907437) is 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea is O=C(NCc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1)Nc1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea?
The InChIKey is OSDPMXNXYRMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3S/c26-24-16-21(14-15-27-24)29-25(31)28-17-18-10-12-20(13-11-18)30-34(32,33)23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-16,30H,17H2,(H2,27,28,29,31).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea?
1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea has a molecular weight of 492.99 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea is sourced from PubChem (CID 88907437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).