1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea

C13H10ClN3O5S — CID 134114974

IUPAC1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O5S/c14-9-1-7-12(8-2-9)23(21,22)16-13(18)15-10-3-5-11(6-4-10)17(19)20/h1-8H,(H2,15,16,18)
InChIKeyKQVMQKJQLPDHQP-UHFFFAOYSA-N
MW355.76 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea

1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea (PubChem CID 134114974) has the molecular formula C13H10ClN3O5S and a molecular weight of 355.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
PubChem CID134114974
Molecular FormulaC13H10ClN3O5S
Molecular Weight355.76 g/mol
Exact Mass355.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O5S/c14-9-1-7-12(8-2-9)23(21,22)16-13(18)15-10-3-5-11(6-4-10)17(19)20/h1-8H,(H2,15,16,18)
InChIKeyKQVMQKJQLPDHQP-UHFFFAOYSA-N
XLogP2.76
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
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-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)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-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
CID 71412019
3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
CID 7254314
N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
1-(4-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]urea
CID 166423466
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
1-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-3-(4-chlorophenyl)sulfonylurea
CID 16734964
CID 70381437
CID 70381437
1-[4-[4-(benzenesulfonamido)phenyl]sulfonylphenyl]-3-(4-nitrophenyl)urea
CID 156902705
1-(3-nitrophenyl)sulfonyl-3-[4-[[4-[(3-nitrophenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 19966682

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea (CID 134114974) is 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea?
The InChIKey is KQVMQKJQLPDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5S/c14-9-1-7-12(8-2-9)23(21,22)16-13(18)15-10-3-5-11(6-4-10)17(19)20/h1-8H,(H2,15,16,18).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea?
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea has a molecular weight of 355.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea is sourced from PubChem (CID 134114974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).