(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide

C17H18N2O2S — CID 134907065

IUPAC(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/C(C)c3ccccc3N2C)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-8-10-14(11-9-12)22(20,21)18-17-13(2)15-6-4-5-7-16(15)19(17)3/h4-11,13H,1-3H3/b18-17-
InChIKeyPVIKNPZPYZMGOV-ZCXUNETKSA-N
MW314.41 g/mol
LogP3.34
Rot. Bonds2

About (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide

(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 134907065) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID134907065
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/C(C)c3ccccc3N2C)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-8-10-14(11-9-12)22(20,21)18-17-13(2)15-6-4-5-7-16(15)19(17)3/h4-11,13H,1-3H3/b18-17-
InChIKeyPVIKNPZPYZMGOV-ZCXUNETKSA-N
XLogP3.34
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(3R,4S)-3-(4-bromophenyl)-1,4-diphenylazetidin-2-ylidene]-4-methylbenzenesulfonamide
CID 11663736
(NZ)-4-methyl-N-(3-phenyl-1-propan-2-yl-4-propan-2-yliminoazetidin-2-ylidene)benzenesulfonamide
CID 177384999
4-methyl-N-(4-oxo-3-phenyl-1,3-thiazetidin-2-ylidene)benzenesulfonamide
CID 5257741
4-methyl-N-[(1R,2R,11R,12R)-10-(4-methylphenyl)sulfonylimino-3-tetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraenylidene]benzenesulfonamide
CID 100712092
4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide
CID 2318317
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 3719225
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
CID 23936503
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 22837010
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide (CID 134907065) is (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2/C(C)c3ccccc3N2C)cc1.
What is the InChIKey of (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is PVIKNPZPYZMGOV-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-8-10-14(11-9-12)22(20,21)18-17-13(2)15-6-4-5-7-16(15)19(17)3/h4-11,13H,1-3H3/b18-17-.
What are the key properties of (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 134907065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).