[2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium

C18H16ClN3O4PS+ — CID 135839794

IUPAC[2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium
SMILESO=[P+](NNc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)Oc1ccccc1
InChIInChI=1S/C18H16ClN3O4PS/c19-17-13-14(21-28(24,25)16-9-5-2-6-10-16)11-12-18(17)20-22-27(23)26-15-7-3-1-4-8-15/h1-13,20-21H,(H,22,23)/q+1
InChIKeyQQGNKUCZUZPCFK-UHFFFAOYSA-N
MW436.84 g/mol
LogP4.79
Rot. Bonds8

About [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium

[2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium (PubChem CID 135839794) has the molecular formula C18H16ClN3O4PS+ and a molecular weight of 436.84 g/mol. Its IUPAC name is [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name[2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium
PubChem CID135839794
Molecular FormulaC18H16ClN3O4PS+
Molecular Weight436.84 g/mol
Exact Mass436.03
IUPAC Name[2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium
SMILESO=[P+](NNc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)Oc1ccccc1
InChIInChI=1S/C18H16ClN3O4PS/c19-17-13-14(21-28(24,25)16-9-5-2-6-10-16)11-12-18(17)20-22-27(23)26-15-7-3-1-4-8-15/h1-13,20-21H,(H,22,23)/q+1
InChIKeyQQGNKUCZUZPCFK-UHFFFAOYSA-N
XLogP4.79
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
4-(benzenesulfonamido)-2-chloro-N-(2-phenoxyphenyl)benzamide
CID 99958448
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378

Frequently Asked Questions

What is the IUPAC name of [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium?
The IUPAC name of [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium (CID 135839794) is [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium.
What is the SMILES notation for [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium?
The canonical SMILES for [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium is O=[P+](NNc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)Oc1ccccc1.
What is the InChIKey of [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium?
The InChIKey is QQGNKUCZUZPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4PS/c19-17-13-14(21-28(24,25)16-9-5-2-6-10-16)11-12-18(17)20-22-27(23)26-15-7-3-1-4-8-15/h1-13,20-21H,(H,22,23)/q+1.
What are the key properties of [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium?
[2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium has a molecular weight of 436.84 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(benzenesulfonamido)-2-chlorophenyl]hydrazinyl]-oxo-phenoxyphosphanium is sourced from PubChem (CID 135839794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).