4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide

C17H20N2O2S — CID 779301

IUPAC4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=N/C(C)C)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(2)18-12-15-6-4-5-7-17(15)19-22(20,21)16-10-8-14(3)9-11-16/h4-13,19H,1-3H3/b18-12+
InChIKeyKQLJQXFLYXUCTJ-LDADJPATSA-N
MW316.43 g/mol
LogP3.62
Rot. Bonds5

About 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide

4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide (PubChem CID 779301) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide
PubChem CID779301
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=N/C(C)C)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(2)18-12-15-6-4-5-7-17(15)19-22(20,21)16-10-8-14(3)9-11-16/h4-13,19H,1-3H3/b18-12+
InChIKeyKQLJQXFLYXUCTJ-LDADJPATSA-N
XLogP3.62
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide (CID 779301) is 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide?
The InChIKey is KQLJQXFLYXUCTJ-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(2)18-12-15-6-4-5-7-17(15)19-22(20,21)16-10-8-14(3)9-11-16/h4-13,19H,1-3H3/b18-12+.
What are the key properties of 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(propan-2-yliminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 779301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).