(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide

C20H20N2O2S — CID 137288067

IUPAC(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\Cc2ccccc2)c2[nH]ccc2C)cc1
InChIInChI=1S/C20H20N2O2S/c1-15-8-10-18(11-9-15)25(23,24)22-19(20-16(2)12-13-21-20)14-17-6-4-3-5-7-17/h3-13,21H,14H2,1-2H3/b22-19+
InChIKeyYTOBYQAZFXVOES-ZBJSNUHESA-N
MW352.46 g/mol
LogP4.05
Rot. Bonds5

About (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide

(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide (PubChem CID 137288067) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
PubChem CID137288067
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\Cc2ccccc2)c2[nH]ccc2C)cc1
InChIInChI=1S/C20H20N2O2S/c1-15-8-10-18(11-9-15)25(23,24)22-19(20-16(2)12-13-21-20)14-17-6-4-3-5-7-17/h3-13,21H,14H2,1-2H3/b22-19+
InChIKeyYTOBYQAZFXVOES-ZBJSNUHESA-N
XLogP4.05
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
CID 136791307
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
CID 134847359
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
4-methylbenzenesulfonic acid;N'-(4-methylphenyl)-2-phenylethanimidamide
CID 158193362
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
CID 135051683
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
6-(1H-indol-3-yl)-6-(4-methylphenyl)sulfonyliminohexane-2-diazonium
CID 175607456

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide (CID 137288067) is (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(\Cc2ccccc2)c2[nH]ccc2C)cc1.
What is the InChIKey of (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide?
The InChIKey is YTOBYQAZFXVOES-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-15-8-10-18(11-9-15)25(23,24)22-19(20-16(2)12-13-21-20)14-17-6-4-3-5-7-17/h3-13,21H,14H2,1-2H3/b22-19+.
What are the key properties of (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide?
(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide is sourced from PubChem (CID 137288067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).