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

C15H14ClN3O5S — CID 1345434

IUPAC4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14ClN3O5S/c16-11-3-6-13(14(9-11)19(21)22)15(20)18-8-7-10-1-4-12(5-2-10)25(17,23)24/h1-6,9H,7-8H2,(H,18,20)(H2,17,23,24)
InChIKeyHYUBWAMZVFRTMJ-UHFFFAOYSA-N
MW383.81 g/mol
LogP1.87
Rot. Bonds6

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

4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 1345434) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID1345434
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14ClN3O5S/c16-11-3-6-13(14(9-11)19(21)22)15(20)18-8-7-10-1-4-12(5-2-10)25(17,23)24/h1-6,9H,7-8H2,(H,18,20)(H2,17,23,24)
InChIKeyHYUBWAMZVFRTMJ-UHFFFAOYSA-N
XLogP1.87
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 51.87
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-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 1345434) is 4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is HYUBWAMZVFRTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c16-11-3-6-13(14(9-11)19(21)22)15(20)18-8-7-10-1-4-12(5-2-10)25(17,23)24/h1-6,9H,7-8H2,(H,18,20)(H2,17,23,24).
What are the key properties of 4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 383.81 g/mol, XLogP of 1.87, 6 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-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 1345434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).