N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide

C19H25N3O5S2 — CID 25195976

IUPACN,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)cc1
InChIInChI=1S/C19H25N3O5S2/c1-14(2)27-19-11-10-18(29(25,26)22(4)5)12-16(19)13-20-21-28(23,24)17-8-6-15(3)7-9-17/h6-14,21H,1-5H3/b20-13+
InChIKeyQEEMFPJENXGDAU-DEDYPNTBSA-N
MW439.56 g/mol
LogP2.34
Rot. Bonds8

About N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide

N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 25195976) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID25195976
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC NameN,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)cc1
InChIInChI=1S/C19H25N3O5S2/c1-14(2)27-19-11-10-18(29(25,26)22(4)5)12-16(19)13-20-21-28(23,24)17-8-6-15(3)7-9-17/h6-14,21H,1-5H3/b20-13+
InChIKeyQEEMFPJENXGDAU-DEDYPNTBSA-N
XLogP2.34
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide (CID 25195976) is N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is QEEMFPJENXGDAU-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-14(2)27-19-11-10-18(29(25,26)22(4)5)12-16(19)13-20-21-28(23,24)17-8-6-15(3)7-9-17/h6-14,21H,1-5H3/b20-13+.
What are the key properties of N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide?
N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 25195976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).