hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride

C23H29ClN4O3S — CID 3000011

IUPAChydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C.[Cl-].[H+]
InChIInChI=1S/C23H28N4O3S.ClH/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-21-9-6-5-8-20(21)23(28)25-10-7-12-27-13-11-24-15-27;/h5-6,8-9,11,13-15,26H,7,10,12H2,1-4H3,(H,25,28);1H
InChIKeyQPVGYPNSOBACPN-UHFFFAOYSA-N
MW477.03 g/mol
LogP0.85
Rot. Bonds8

About hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride

hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride (PubChem CID 3000011) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride.

Molecular Properties

Compound Namehydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
PubChem CID3000011
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC Namehydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C.[Cl-].[H+]
InChIInChI=1S/C23H28N4O3S.ClH/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-21-9-6-5-8-20(21)23(28)25-10-7-12-27-13-11-24-15-27;/h5-6,8-9,11,13-15,26H,7,10,12H2,1-4H3,(H,25,28);1H
InChIKeyQPVGYPNSOBACPN-UHFFFAOYSA-N
XLogP0.85
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 13280089
N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
CID 13280079
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 51155817
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235

Frequently Asked Questions

What is the IUPAC name of hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride?
The IUPAC name of hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride (CID 3000011) is hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride.
What is the SMILES notation for hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride?
The canonical SMILES for hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C.[Cl-].[H+].
What is the InChIKey of hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride?
The InChIKey is QPVGYPNSOBACPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S.ClH/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-21-9-6-5-8-20(21)23(28)25-10-7-12-27-13-11-24-15-27;/h5-6,8-9,11,13-15,26H,7,10,12H2,1-4H3,(H,25,28);1H.
What are the key properties of hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride?
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride has a molecular weight of 477.03 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride is sourced from PubChem (CID 3000011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).