4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide

C18H16N2O2S — CID 175563015

IUPAC4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cccn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-15-9-11-18(12-10-15)23(21,22)19-14-17-8-5-13-20(17)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyHDZNRRKFCPSLGN-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.59
Rot. Bonds4

About 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide

4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide (PubChem CID 175563015) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide
PubChem CID175563015
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cccn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-15-9-11-18(12-10-15)23(21,22)19-14-17-8-5-13-20(17)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyHDZNRRKFCPSLGN-UHFFFAOYSA-N
XLogP3.59
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
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-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide (CID 175563015) is 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2cccn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide?
The InChIKey is HDZNRRKFCPSLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-15-9-11-18(12-10-15)23(21,22)19-14-17-8-5-13-20(17)16-6-3-2-4-7-16/h2-14H,1H3.
What are the key properties of 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide?
4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide is sourced from PubChem (CID 175563015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).