N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide

C17H18N2O2S — CID 5412472

IUPACN-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
InChIInChI=1S/C17H18N2O2S/c1-13-7-11-16(12-8-13)22(20,21)19-18-17(15-9-10-15)14-5-3-2-4-6-14/h2-8,11-12,15,19H,9-10H2,1H3/b18-17+
InChIKeyRVSIHZLARCXPMW-ISLYRVAYSA-N
MW314.41 g/mol
LogP3.09
Rot. Bonds5

About N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide

N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 5412472) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide
PubChem CID5412472
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1
InChIInChI=1S/C17H18N2O2S/c1-13-7-11-16(12-8-13)22(20,21)19-18-17(15-9-10-15)14-5-3-2-4-6-14/h2-8,11-12,15,19H,9-10H2,1H3/b18-17+
InChIKeyRVSIHZLARCXPMW-ISLYRVAYSA-N
XLogP3.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.09
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)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide (CID 5412472) is N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is RVSIHZLARCXPMW-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13-7-11-16(12-8-13)22(20,21)19-18-17(15-9-10-15)14-5-3-2-4-6-14/h2-8,11-12,15,19H,9-10H2,1H3/b18-17+.
What are the key properties of N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide?
N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[cyclopropyl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5412472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).