N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide

C13H18N2O2S — CID 177489049

IUPACN-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide
SMILESCC(C)/C(=N/NS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O2S/c1-10(2)13(11-8-9-11)14-15-18(16,17)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3/b14-13-
InChIKeyCSKXWLXAOLSTLG-YPKPFQOOSA-N
MW266.37 g/mol
LogP2.39
Rot. Bonds5

About N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide

N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide (PubChem CID 177489049) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide
PubChem CID177489049
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide
SMILESCC(C)/C(=N/NS(=O)(=O)c1ccccc1)C1CC1
InChIInChI=1S/C13H18N2O2S/c1-10(2)13(11-8-9-11)14-15-18(16,17)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3/b14-13-
InChIKeyCSKXWLXAOLSTLG-YPKPFQOOSA-N
XLogP2.39
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide (CID 177489049) is N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide is CC(C)/C(=N/NS(=O)(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide?
The InChIKey is CSKXWLXAOLSTLG-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10(2)13(11-8-9-11)14-15-18(16,17)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3/b14-13-.
What are the key properties of N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide?
N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide is sourced from PubChem (CID 177489049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).