2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide

C19H14ClN3O5S — CID 10296430

IUPAC2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O5S/c20-16-11-10-14(12-18(16)23(25)26)29(27,28)22-17-9-5-4-8-15(17)19(24)21-13-6-2-1-3-7-13/h1-12,22H,(H,21,24)
InChIKeyFANCDQDOGRZOFP-UHFFFAOYSA-N
MW431.86 g/mol
LogP4.30
Rot. Bonds6

About 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide

2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide (PubChem CID 10296430) has the molecular formula C19H14ClN3O5S and a molecular weight of 431.86 g/mol. Its IUPAC name is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
PubChem CID10296430
Molecular FormulaC19H14ClN3O5S
Molecular Weight431.86 g/mol
Exact Mass431.03
IUPAC Name2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O5S/c20-16-11-10-14(12-18(16)23(25)26)29(27,28)22-17-9-5-4-8-15(17)19(24)21-13-6-2-1-3-7-13/h1-12,22H,(H,21,24)
InChIKeyFANCDQDOGRZOFP-UHFFFAOYSA-N
XLogP4.30
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 54.30
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 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
The IUPAC name of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide (CID 10296430) is 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
The InChIKey is FANCDQDOGRZOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5S/c20-16-11-10-14(12-18(16)23(25)26)29(27,28)22-17-9-5-4-8-15(17)19(24)21-13-6-2-1-3-7-13/h1-12,22H,(H,21,24).
What are the key properties of 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide?
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide has a molecular weight of 431.86 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide is sourced from PubChem (CID 10296430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).