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

C19H14Cl2N4O5S — CID 2956323

IUPAC1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H14Cl2N4O5S/c20-17-10-5-14(11-18(17)21)24-31(29,30)16-8-3-13(4-9-16)23-19(26)22-12-1-6-15(7-2-12)25(27)28/h1-11,24H,(H2,22,23,26)
InChIKeyBFCSQVMVMNEDEY-UHFFFAOYSA-N
MW481.32 g/mol
LogP5.35
Rot. Bonds6

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

1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea (PubChem CID 2956323) has the molecular formula C19H14Cl2N4O5S and a molecular weight of 481.32 g/mol. Its IUPAC name is 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea
PubChem CID2956323
Molecular FormulaC19H14Cl2N4O5S
Molecular Weight481.32 g/mol
Exact Mass480.01
IUPAC Name1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H14Cl2N4O5S/c20-17-10-5-14(11-18(17)21)24-31(29,30)16-8-3-13(4-9-16)23-19(26)22-12-1-6-15(7-2-12)25(27)28/h1-11,24H,(H2,22,23,26)
InChIKeyBFCSQVMVMNEDEY-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'}

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Related Compounds

1-(2-Chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836513
1-(4-Chloro-2-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 307597
1-[4-[(3,4-Dichlorophenyl)sulfonylamino]phenyl]-3-(4-nitrophenyl)urea
CID 44204061
1-(3,4-Dichlorophenyl)-3-[(4-sulfamoylphenyl)carbamothioyl]urea
CID 5470529
Benzenesulfonamide, 4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-
CID 250644
N-([(3,4-dichlorophenyl)amino]carbonyl)benzenesulfonamide
CID 10246947
1-[4-[(3-Chlorophenyl)sulfonylamino]phenyl]-3-(3-nitrophenyl)urea
CID 44203573
1-[4-[(3,4-Dichlorophenyl)sulfonylamino]phenyl]-3-(3-nitrophenyl)urea
CID 44204062
1-[4-[(3,4-Dichlorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)urea
CID 44204063
4-Chloro-N-([(3,4-dichlorophenyl)amino]carbonyl)benzenesulfonamide
CID 14480020
1-(4-Nitrophenyl)-3-[4-(phenylsulfamoyl)phenyl]urea
CID 137658755
1-[4-[(2-Chlorophenyl)sulfonylamino]phenyl]-3-(4-nitrophenyl)urea
CID 44203302

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea (CID 2956323) is 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea?
The InChIKey is BFCSQVMVMNEDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O5S/c20-17-10-5-14(11-18(17)21)24-31(29,30)16-8-3-13(4-9-16)23-19(26)22-12-1-6-15(7-2-12)25(27)28/h1-11,24H,(H2,22,23,26).
What are the key properties of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea?
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)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-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 2956323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).