N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline

C21H24N2O2S — CID 9463442

IUPACN-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline
SMILESCC1=C/C(=N\Nc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H24N2O2S/c1-15(2)17-5-10-20(11-6-17)26(24,25)21-12-8-18(9-13-21)22-23-19-7-4-16(3)14-19/h5-6,8-15,22H,4,7H2,1-3H3/b23-19-
InChIKeyCDZPDOLATDKMET-NMWGTECJSA-N
MW368.50 g/mol
LogP5.15
Rot. Bonds5

About N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline

N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline (PubChem CID 9463442) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline.

Molecular Properties

Compound NameN-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline
PubChem CID9463442
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline
SMILESCC1=C/C(=N\Nc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1
InChIInChI=1S/C21H24N2O2S/c1-15(2)17-5-10-20(11-6-17)26(24,25)21-12-8-18(9-13-21)22-23-19-7-4-16(3)14-19/h5-6,8-15,22H,4,7H2,1-3H3/b23-19-
InChIKeyCDZPDOLATDKMET-NMWGTECJSA-N
XLogP5.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline?
The IUPAC name of N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline (CID 9463442) is N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline.
What is the SMILES notation for N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline?
The canonical SMILES for N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline is CC1=C/C(=N\Nc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1.
What is the InChIKey of N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline?
The InChIKey is CDZPDOLATDKMET-NMWGTECJSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15(2)17-5-10-20(11-6-17)26(24,25)21-12-8-18(9-13-21)22-23-19-7-4-16(3)14-19/h5-6,8-15,22H,4,7H2,1-3H3/b23-19-.
What are the key properties of N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline?
N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline has a molecular weight of 368.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline is sourced from PubChem (CID 9463442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).