[1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene

C18H25N2O5PS — CID 21423552

IUPAC[1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene
SMILESCCCC(NS(=O)(=O)N(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H25N2O5PS/c1-4-11-18(19-27(22,23)20(2)3)26(21,24-16-12-7-5-8-13-16)25-17-14-9-6-10-15-17/h5-10,12-15,18-19H,4,11H2,1-3H3
InChIKeySBBNPDUZXRHUPK-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.86
Rot. Bonds10

About [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene

[1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene (PubChem CID 21423552) has the molecular formula C18H25N2O5PS and a molecular weight of 412.45 g/mol. Its IUPAC name is [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene.

Molecular Properties

Compound Name[1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene
PubChem CID21423552
Molecular FormulaC18H25N2O5PS
Molecular Weight412.45 g/mol
Exact Mass412.12
IUPAC Name[1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene
SMILESCCCC(NS(=O)(=O)N(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H25N2O5PS/c1-4-11-18(19-27(22,23)20(2)3)26(21,24-16-12-7-5-8-13-16)25-17-14-9-6-10-15-17/h5-10,12-15,18-19H,4,11H2,1-3H3
InChIKeySBBNPDUZXRHUPK-UHFFFAOYSA-N
XLogP3.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-diphenoxyphosphorylbutylcarbamoylamino)acetic acid
CID 88828280
benzyl N-[(1S)-1-diphenoxyphosphorylbutyl]carbamate
CID 26477193
1-[(1-diphenoxyphosphorylbutylamino)-methoxyphosphoryl]-N-propan-2-ylformamide
CID 171988637
(2S)-2,6-diamino-N-(1-diphenoxyphosphorylbutyl)hexanamide
CID 10993761
1-[bis(2-chloroethyl)amino-(4-chlorophenoxy)phosphoryl]-3-(1-diphenoxyphosphorylbutyl)urea
CID 15312766
[1-methoxypropyl(phenoxy)phosphoryl]oxybenzene
CID 89300438
[2-(dimethylsulfamoylamino)-2-phenylethyl]benzene
CID 42955151
2-(dimethylsulfamoylamino)pentane
CID 4635587
ethyl 2-diphenoxyphosphoryl-6-methyl-5-oxoheptanoate
CID 177463001
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
CID 65030819
N-(1-diphenylphosphorylbutyl)-4-methylbenzenesulfonamide
CID 21427381

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene?
The IUPAC name of [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene (CID 21423552) is [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene.
What is the SMILES notation for [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene?
The canonical SMILES for [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene is CCCC(NS(=O)(=O)N(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene?
The InChIKey is SBBNPDUZXRHUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O5PS/c1-4-11-18(19-27(22,23)20(2)3)26(21,24-16-12-7-5-8-13-16)25-17-14-9-6-10-15-17/h5-10,12-15,18-19H,4,11H2,1-3H3.
What are the key properties of [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene?
[1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene has a molecular weight of 412.45 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylsulfamoylamino)butyl-phenoxyphosphoryl]oxybenzene is sourced from PubChem (CID 21423552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).