4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide

C14H12ClN3O5S — CID 1150884

IUPAC4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O5S/c15-10-3-6-12(13(7-10)18(20)21)14(19)17-8-9-1-4-11(5-2-9)24(16,22)23/h1-7H,8H2,(H,17,19)(H2,16,22,23)
InChIKeyPIGMORZXKPDGMR-UHFFFAOYSA-N
MW369.79 g/mol
LogP1.83
Rot. Bonds5

About 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide

4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 1150884) has the molecular formula C14H12ClN3O5S and a molecular weight of 369.79 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID1150884
Molecular FormulaC14H12ClN3O5S
Molecular Weight369.79 g/mol
Exact Mass369.02
IUPAC Name4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O5S/c15-10-3-6-12(13(7-10)18(20)21)14(19)17-8-9-1-4-11(5-2-9)24(16,22)23/h1-7H,8H2,(H,17,19)(H2,16,22,23)
InChIKeyPIGMORZXKPDGMR-UHFFFAOYSA-N
XLogP1.83
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 51.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 1150884) is 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is PIGMORZXKPDGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5S/c15-10-3-6-12(13(7-10)18(20)21)14(19)17-8-9-1-4-11(5-2-9)24(16,22)23/h1-7H,8H2,(H,17,19)(H2,16,22,23).
What are the key properties of 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 369.79 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 1150884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).