1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea

C19H17Cl2N5O5S — CID 2206595

IUPAC1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)nc(OC)n1
InChIInChI=1S/C19H17Cl2N5O5S/c1-30-17-10-16(24-19(25-17)31-2)26-32(28,29)13-6-3-11(4-7-13)22-18(27)23-12-5-8-14(20)15(21)9-12/h3-10H,1-2H3,(H2,22,23,27)(H,24,25,26)
InChIKeyFKORHBAFGHYBQR-UHFFFAOYSA-N
MW498.35 g/mol
LogP4.25
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea

1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea (PubChem CID 2206595) has the molecular formula C19H17Cl2N5O5S and a molecular weight of 498.35 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
PubChem CID2206595
Molecular FormulaC19H17Cl2N5O5S
Molecular Weight498.35 g/mol
Exact Mass497.03
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)nc(OC)n1
InChIInChI=1S/C19H17Cl2N5O5S/c1-30-17-10-16(24-19(25-17)31-2)26-32(28,29)13-6-3-11(4-7-13)22-18(27)23-12-5-8-14(20)15(21)9-12/h3-10H,1-2H3,(H2,22,23,27)(H,24,25,26)
InChIKeyFKORHBAFGHYBQR-UHFFFAOYSA-N
XLogP4.25
TPSA131.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.35
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]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

2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-pyridin-4-ylthiourea
CID 134129947
2,4-dichloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 3520706
2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5218053
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)thiourea
CID 4985480
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 25044682
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 4778784
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
N-(2,6-dimethoxypyrimidin-4-yl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22203987
(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 6301502

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea (CID 2206595) is 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea is COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)nc(OC)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
The InChIKey is FKORHBAFGHYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O5S/c1-30-17-10-16(24-19(25-17)31-2)26-32(28,29)13-6-3-11(4-7-13)22-18(27)23-12-5-8-14(20)15(21)9-12/h3-10H,1-2H3,(H2,22,23,27)(H,24,25,26).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea has a molecular weight of 498.35 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 2206595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).