N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide

C15H14N2O2S — CID 169450837

IUPACN-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2Cc3ccccc3N2)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-6-8-13(9-7-11)20(18,19)17-15-10-12-4-2-3-5-14(12)16-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyNPQUGHODEHYGPC-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.75
Rot. Bonds2

About N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide

N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 169450837) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID169450837
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2Cc3ccccc3N2)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-6-8-13(9-7-11)20(18,19)17-15-10-12-4-2-3-5-14(12)16-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyNPQUGHODEHYGPC-UHFFFAOYSA-N
XLogP2.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.75
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

N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide
CID 157021117
N-(5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 135408126
N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674
(NZ)-4-methyl-N-[(2'S,4R)-2'-phenylspiro[1H-isochromene-4,1'-cyclopropane]-3-ylidene]benzenesulfonamide
CID 139095496
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
3-methyl-9,10-dihydroacridine
CID 15076518
9,10-dihydroacridine
CID 137366999
N-[3,5-bis(benzenesulfonyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
CID 3400464
N-(4-ethylcyclohexyl)-1,3-dihydroindol-2-imine
CID 136503503
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
1,3-dihydroindol-2-one;ethane
CID 54350510

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide (CID 169450837) is N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2Cc3ccccc3N2)cc1.
What is the InChIKey of N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is NPQUGHODEHYGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-6-8-13(9-7-11)20(18,19)17-15-10-12-4-2-3-5-14(12)16-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide?
N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169450837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).