N-[anilino(phenoxy)phosphoryl]benzenesulfonamide

C18H17N2O4PS — CID 25035075

IUPACN-[anilino(phenoxy)phosphoryl]benzenesulfonamide
SMILESO=P(Nc1ccccc1)(NS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17N2O4PS/c21-25(19-16-10-4-1-5-11-16,24-17-12-6-2-7-13-17)20-26(22,23)18-14-8-3-9-15-18/h1-15H,(H2,19,20,21)
InChIKeyYOTGPKXVMZYKBY-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.26
Rot. Bonds7

About N-[anilino(phenoxy)phosphoryl]benzenesulfonamide

N-[anilino(phenoxy)phosphoryl]benzenesulfonamide (PubChem CID 25035075) has the molecular formula C18H17N2O4PS and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[anilino(phenoxy)phosphoryl]benzenesulfonamide.

Molecular Properties

Compound NameN-[anilino(phenoxy)phosphoryl]benzenesulfonamide
PubChem CID25035075
Molecular FormulaC18H17N2O4PS
Molecular Weight388.39 g/mol
Exact Mass388.06
IUPAC NameN-[anilino(phenoxy)phosphoryl]benzenesulfonamide
SMILESO=P(Nc1ccccc1)(NS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H17N2O4PS/c21-25(19-16-10-4-1-5-11-16,24-17-12-6-2-7-13-17)20-26(22,23)18-14-8-3-9-15-18/h1-15H,(H2,19,20,21)
InChIKeyYOTGPKXVMZYKBY-UHFFFAOYSA-N
XLogP4.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[methylamino(phenoxy)phosphoryl]methanamine
CID 15643
4-(diphenoxyphosphinothioylsulfamoyl)benzoic acid
CID 100929558
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide
CID 2307159
N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
CID 2307158
N-[(4-bromophenyl)-diphenoxyphosphorylmethyl]benzenesulfonamide
CID 21179229
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
phenyl N-phenylsulfamate
CID 13042751
N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid
CID 67121222
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
4-bromo-N-[methyl(phenoxy)phosphoryl]aniline
CID 11864281

Frequently Asked Questions

What is the IUPAC name of N-[anilino(phenoxy)phosphoryl]benzenesulfonamide?
The IUPAC name of N-[anilino(phenoxy)phosphoryl]benzenesulfonamide (CID 25035075) is N-[anilino(phenoxy)phosphoryl]benzenesulfonamide.
What is the SMILES notation for N-[anilino(phenoxy)phosphoryl]benzenesulfonamide?
The canonical SMILES for N-[anilino(phenoxy)phosphoryl]benzenesulfonamide is O=P(Nc1ccccc1)(NS(=O)(=O)c1ccccc1)Oc1ccccc1.
What is the InChIKey of N-[anilino(phenoxy)phosphoryl]benzenesulfonamide?
The InChIKey is YOTGPKXVMZYKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O4PS/c21-25(19-16-10-4-1-5-11-16,24-17-12-6-2-7-13-17)20-26(22,23)18-14-8-3-9-15-18/h1-15H,(H2,19,20,21).
What are the key properties of N-[anilino(phenoxy)phosphoryl]benzenesulfonamide?
N-[anilino(phenoxy)phosphoryl]benzenesulfonamide has a molecular weight of 388.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino(phenoxy)phosphoryl]benzenesulfonamide is sourced from PubChem (CID 25035075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).