N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide

C15H12ClN3O6S — CID 1371333

IUPACN-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O6S/c1-9(20)18-26(24,25)12-5-3-11(4-6-12)17-15(21)13-7-2-10(16)8-14(13)19(22)23/h2-8H,1H3,(H,17,21)(H,18,20)
InChIKeyWZZOICIJLLNNBZ-UHFFFAOYSA-N
MW397.80 g/mol
LogP2.33
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide

N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide (PubChem CID 1371333) has the molecular formula C15H12ClN3O6S and a molecular weight of 397.80 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide
PubChem CID1371333
Molecular FormulaC15H12ClN3O6S
Molecular Weight397.80 g/mol
Exact Mass397.01
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O6S/c1-9(20)18-26(24,25)12-5-3-11(4-6-12)17-15(21)13-7-2-10(16)8-14(13)19(22)23/h2-8H,1H3,(H,17,21)(H,18,20)
InChIKeyWZZOICIJLLNNBZ-UHFFFAOYSA-N
XLogP2.33
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.80
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 12698199
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(2,5-dichlorophenyl)benzamide
CID 2832032
5-chloro-N-(2-chloro-4-nitrophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 124157387
N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 711431
4-Chloro-2-nitro-N-(4-sulfamoyl-benzyl)-benzamide
CID 1150884
N-(3,5-dichlorophenyl)-2-(methanesulfonamido)benzamide
CID 1260692
N-[4-(benzylsulfamoyl)phenyl]-2-nitrobenzamide
CID 1303801
2-chloro-5-[(dimethylamino)sulfonyl]-N-(3-nitrophenyl)benzamide
CID 1310207

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide (CID 1371333) is N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide?
The InChIKey is WZZOICIJLLNNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O6S/c1-9(20)18-26(24,25)12-5-3-11(4-6-12)17-15(21)13-7-2-10(16)8-14(13)19(22)23/h2-8H,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide?
N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide has a molecular weight of 397.80 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide is sourced from PubChem (CID 1371333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).