N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

C17H25N3O3S — CID 655583

IUPACN-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C17H25N3O3S/c1-13(2)15-11-17(16(23-4)10-14(15)3)24(21,22)19-6-5-8-20-9-7-18-12-20/h7,9-13,19H,5-6,8H2,1-4H3
InChIKeyFDNIOGQJFGUNNL-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.69
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 655583) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID655583
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C17H25N3O3S/c1-13(2)15-11-17(16(23-4)10-14(15)3)24(21,22)19-6-5-8-20-9-7-18-12-20/h7,9-13,19H,5-6,8H2,1-4H3
InChIKeyFDNIOGQJFGUNNL-UHFFFAOYSA-N
XLogP2.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (CID 655583) is N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is FDNIOGQJFGUNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13(2)15-11-17(16(23-4)10-14(15)3)24(21,22)19-6-5-8-20-9-7-18-12-20/h7,9-13,19H,5-6,8H2,1-4H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 655583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).