N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide

C10H14N3O4PS — CID 59991350

IUPACN-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCP)cc1
InChIInChI=1S/C10H14N3O4PS/c11-19(16,17)8-3-1-7(2-4-8)10(15)12-5-9(14)13-6-18/h1-4H,5-6,18H2,(H,12,15)(H,13,14)(H2,11,16,17)
InChIKeyAZIUUXLLYOTPMY-UHFFFAOYSA-N
MW303.28 g/mol
LogP-0.99
Rot. Bonds5

About N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide

N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide (PubChem CID 59991350) has the molecular formula C10H14N3O4PS and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
PubChem CID59991350
Molecular FormulaC10H14N3O4PS
Molecular Weight303.28 g/mol
Exact Mass303.04
IUPAC NameN-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCP)cc1
InChIInChI=1S/C10H14N3O4PS/c11-19(16,17)8-3-1-7(2-4-8)10(15)12-5-9(14)13-6-18/h1-4H,5-6,18H2,(H,12,15)(H,13,14)(H2,11,16,17)
InChIKeyAZIUUXLLYOTPMY-UHFFFAOYSA-N
XLogP-0.99
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
(2S)-3-methyl-2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 73353110
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148
(2S)-3-(4-aminophenyl)-2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 73345532
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide
CID 2150

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide (CID 59991350) is N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCP)cc1.
What is the InChIKey of N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide?
The InChIKey is AZIUUXLLYOTPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3O4PS/c11-19(16,17)8-3-1-7(2-4-8)10(15)12-5-9(14)13-6-18/h1-4H,5-6,18H2,(H,12,15)(H,13,14)(H2,11,16,17).
What are the key properties of N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide?
N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide has a molecular weight of 303.28 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 59991350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).