(NZ)-4-methyl-N-pentylidenebenzenesulfonamide

C12H17NO2S — CID 134996221

IUPAC(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
SMILESCCCC/C=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2S/c1-3-4-5-10-13-16(14,15)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3/b13-10-
InChIKeyNVGWIATZZGIJIS-RAXLEYEMSA-N
MW239.34 g/mol
LogP2.94
Rot. Bonds5

About (NZ)-4-methyl-N-pentylidenebenzenesulfonamide

(NZ)-4-methyl-N-pentylidenebenzenesulfonamide (PubChem CID 134996221) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (NZ)-4-methyl-N-pentylidenebenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
PubChem CID134996221
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
SMILESCCCC/C=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2S/c1-3-4-5-10-13-16(14,15)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3/b13-10-
InChIKeyNVGWIATZZGIJIS-RAXLEYEMSA-N
XLogP2.94
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-pentylidenebenzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-pentylidenebenzenesulfonamide (CID 134996221) is (NZ)-4-methyl-N-pentylidenebenzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-pentylidenebenzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-pentylidenebenzenesulfonamide is CCCC/C=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NZ)-4-methyl-N-pentylidenebenzenesulfonamide?
The InChIKey is NVGWIATZZGIJIS-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-4-5-10-13-16(14,15)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3/b13-10-.
What are the key properties of (NZ)-4-methyl-N-pentylidenebenzenesulfonamide?
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-pentylidenebenzenesulfonamide is sourced from PubChem (CID 134996221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).