methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate

C15H25N2O7PS — CID 165163701

IUPACmethyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate
SMILESCOP(=O)(O)OCCCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N2O7PS/c1-23-25(19,20)24-12-6-4-2-3-5-11-17-15(18)13-7-9-14(10-8-13)26(16,21)22/h7-10H,2-6,11-12H2,1H3,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyIDNIIGUKYDYDAW-UHFFFAOYSA-N
MW408.41 g/mol
LogP1.78
Rot. Bonds12

About methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate

methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate (PubChem CID 165163701) has the molecular formula C15H25N2O7PS and a molecular weight of 408.41 g/mol. Its IUPAC name is methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate
PubChem CID165163701
Molecular FormulaC15H25N2O7PS
Molecular Weight408.41 g/mol
Exact Mass408.11
IUPAC Namemethyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate
SMILESCOP(=O)(O)OCCCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H25N2O7PS/c1-23-25(19,20)24-12-6-4-2-3-5-11-17-15(18)13-7-9-14(10-8-13)26(16,21)22/h7-10H,2-6,11-12H2,1H3,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyIDNIIGUKYDYDAW-UHFFFAOYSA-N
XLogP1.78
TPSA145.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
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CID 68610816
6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide
CID 118335380
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68609461
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-(5-bromopentyl)-4-methylsulfonylbenzamide
CID 107321863
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate?
The IUPAC name of methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate (CID 165163701) is methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate.
What is the SMILES notation for methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate?
The canonical SMILES for methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate is COP(=O)(O)OCCCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate?
The InChIKey is IDNIIGUKYDYDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O7PS/c1-23-25(19,20)24-12-6-4-2-3-5-11-17-15(18)13-7-9-14(10-8-13)26(16,21)22/h7-10H,2-6,11-12H2,1H3,(H,17,18)(H,19,20)(H2,16,21,22).
What are the key properties of methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate?
methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate has a molecular weight of 408.41 g/mol, XLogP of 1.78, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate is sourced from PubChem (CID 165163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).