4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide

C20H22N2O2S — CID 2318317

IUPAC4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-9-11-16(12-10-15)25(23,24)21-14-13-19-20(2,3)17-7-5-6-8-18(17)22(19)4/h5-14H,1-4H3/b19-13+,21-14?
InChIKeyUFOHYYFCPGDQOJ-PYUBLARUSA-N
MW354.48 g/mol
LogP4.07
Rot. Bonds3

About 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide

4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide (PubChem CID 2318317) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide
PubChem CID2318317
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-9-11-16(12-10-15)25(23,24)21-14-13-19-20(2,3)17-7-5-6-8-18(17)22(19)4/h5-14H,1-4H3/b19-13+,21-14?
InChIKeyUFOHYYFCPGDQOJ-PYUBLARUSA-N
XLogP4.07
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
N-(4-methylphenyl)-N'-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
CID 9155558
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
10-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101250838
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101199233
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 3292731
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 4087183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide (CID 2318317) is 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide?
The InChIKey is UFOHYYFCPGDQOJ-PYUBLARUSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-9-11-16(12-10-15)25(23,24)21-14-13-19-20(2,3)17-7-5-6-8-18(17)22(19)4/h5-14H,1-4H3/b19-13+,21-14?.
What are the key properties of 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide?
4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide is sourced from PubChem (CID 2318317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).