1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea

C19H14Cl2N4O5S — CID 171352609

IUPAC1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14Cl2N4O5S/c20-15-10-5-12(11-16(15)21)22-19(26)23-17-3-1-2-4-18(17)24-31(29,30)14-8-6-13(7-9-14)25(27)28/h1-11,24H,(H2,22,23,26)
InChIKeyRHWUNFHGSMKETH-UHFFFAOYSA-N
MW481.32 g/mol
LogP5.35
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea

1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea (PubChem CID 171352609) has the molecular formula C19H14Cl2N4O5S and a molecular weight of 481.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
PubChem CID171352609
Molecular FormulaC19H14Cl2N4O5S
Molecular Weight481.32 g/mol
Exact Mass480.01
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14Cl2N4O5S/c20-15-10-5-12(11-16(15)21)22-19(26)23-17-3-1-2-4-18(17)24-31(29,30)14-8-6-13(7-9-14)25(27)28/h1-11,24H,(H2,22,23,26)
InChIKeyRHWUNFHGSMKETH-UHFFFAOYSA-N
XLogP5.35
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.32
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]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

1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-[2-(benzenesulfonamido)-4-nitrophenyl]-3-phenylurea
CID 158579862
1-[4-[4-(benzenesulfonamido)phenyl]sulfonylphenyl]-3-(4-nitrophenyl)urea
CID 156902705
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1-methyl-3-(4-nitrophenyl)urea
CID 58506431
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
1-(3,4-dichlorophenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 2963634
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
1-(4-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]urea
CID 166423466
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea (CID 171352609) is 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
The InChIKey is RHWUNFHGSMKETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O5S/c20-15-10-5-12(11-16(15)21)22-19(26)23-17-3-1-2-4-18(17)24-31(29,30)14-8-6-13(7-9-14)25(27)28/h1-11,24H,(H2,22,23,26).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea has a molecular weight of 481.32 g/mol, XLogP of 5.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 171352609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).