2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide

C18H13ClN4O5S — CID 25040314

IUPAC2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C18H13ClN4O5S/c19-15-8-7-13(29(27,28)22-12-4-3-9-20-11-12)10-14(15)18(24)21-16-5-1-2-6-17(16)23(25)26/h1-11,22H,(H,21,24)
InChIKeyHCTFOCKIACEUBT-UHFFFAOYSA-N
MW432.85 g/mol
LogP3.70
Rot. Bonds6

About 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide

2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide (PubChem CID 25040314) has the molecular formula C18H13ClN4O5S and a molecular weight of 432.85 g/mol. Its IUPAC name is 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide
PubChem CID25040314
Molecular FormulaC18H13ClN4O5S
Molecular Weight432.85 g/mol
Exact Mass432.03
IUPAC Name2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C18H13ClN4O5S/c19-15-8-7-13(29(27,28)22-12-4-3-9-20-11-12)10-14(15)18(24)21-16-5-1-2-6-17(16)23(25)26/h1-11,22H,(H,21,24)
InChIKeyHCTFOCKIACEUBT-UHFFFAOYSA-N
XLogP3.70
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 53.70
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

5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
CID 3092265
2,4-dichloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
CID 2996026
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2909414
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
CID 10183406
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 26593187
2-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-nitrophenyl)benzamide
CID 2907806
2-chloro-3,5-dinitro-N-pyridin-3-ylbenzamide
CID 4633114
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide
CID 3397127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide (CID 25040314) is 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide?
The InChIKey is HCTFOCKIACEUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O5S/c19-15-8-7-13(29(27,28)22-12-4-3-9-20-11-12)10-14(15)18(24)21-16-5-1-2-6-17(16)23(25)26/h1-11,22H,(H,21,24).
What are the key properties of 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide?
2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide has a molecular weight of 432.85 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 25040314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).