potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide

C19H14KN3O5S — CID 164711557

IUPACpotassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide
SMILESO=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-].[K+]
InChIInChI=1S/C19H14N3O5S.K/c23-19(15-10-4-7-13-18(15)22(24)25)20-16-11-5-6-12-17(16)21-28(26,27)14-8-2-1-3-9-14;/h1-13H,(H,20,23);/q-1;+1
InChIKeySYRWWQSNKKCHQY-UHFFFAOYSA-N
MW435.50 g/mol
LogP1.25
Rot. Bonds6

About potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide

potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide (PubChem CID 164711557) has the molecular formula C19H14KN3O5S and a molecular weight of 435.50 g/mol. Its IUPAC name is potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide.

Molecular Properties

Compound Namepotassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide
PubChem CID164711557
Molecular FormulaC19H14KN3O5S
Molecular Weight435.50 g/mol
Exact Mass435.03
IUPAC Namepotassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide
SMILESO=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-].[K+]
InChIInChI=1S/C19H14N3O5S.K/c23-19(15-10-4-7-13-18(15)22(24)25)20-16-11-5-6-12-17(16)21-28(26,27)14-8-2-1-3-9-14;/h1-13H,(H,20,23);/q-1;+1
InChIKeySYRWWQSNKKCHQY-UHFFFAOYSA-N
XLogP1.25
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
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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Related Compounds

benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide;rubidium(1+)
CID 164711556
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 7346441
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 997658
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116

Frequently Asked Questions

What is the IUPAC name of potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide?
The IUPAC name of potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide (CID 164711557) is potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide.
What is the SMILES notation for potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide?
The canonical SMILES for potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide is O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-].[K+].
What is the InChIKey of potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide?
The InChIKey is SYRWWQSNKKCHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N3O5S.K/c23-19(15-10-4-7-13-18(15)22(24)25)20-16-11-5-6-12-17(16)21-28(26,27)14-8-2-1-3-9-14;/h1-13H,(H,20,23);/q-1;+1.
What are the key properties of potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide?
potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide has a molecular weight of 435.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide is sourced from PubChem (CID 164711557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).