N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide

C20H24N2O2S — CID 163666804

IUPACN-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide
SMILESC/C=C1\N(CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C20H24N2O2S/c1-5-19-20(3,4)17-8-6-7-9-18(17)22(19)14-21-25(23,24)16-12-10-15(2)11-13-16/h5-13,21H,14H2,1-4H3/b19-5-
InChIKeyIZEFXSQKSUITBC-IPKBDRFQSA-N
MW356.49 g/mol
LogP3.93
Rot. Bonds4

About N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide

N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 163666804) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID163666804
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide
SMILESC/C=C1\N(CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C20H24N2O2S/c1-5-19-20(3,4)17-8-6-7-9-18(17)22(19)14-21-25(23,24)16-12-10-15(2)11-13-16/h5-13,21H,14H2,1-4H3/b19-5-
InChIKeyIZEFXSQKSUITBC-IPKBDRFQSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide
CID 2318317
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 25041319
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
3,4-bis[(E)-(1-ethyl-3,3-dimethylindol-2-ylidene)methyl]cyclobut-3-ene-1,2-dione
CID 177405876
4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 47075386
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
4-[(4Z)-4-[(2E)-2-[1-[6-[(2E)-2-[(2Z)-2-[1-[4-(dodecylamino)sulfanylphenyl]-3-methyl-5-oxopyrazol-4-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexyl]-3,3-dimethylindol-2-ylidene]ethylidene]-3-methyl-5-oxopyrazol-1-yl]-N-tridecylbenzenesulfonamide
CID 145162759
N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide
CID 139200596
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101

Frequently Asked Questions

What is the IUPAC name of N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide (CID 163666804) is N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide is C/C=C1\N(CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1(C)C.
What is the InChIKey of N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is IZEFXSQKSUITBC-IPKBDRFQSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-5-19-20(3,4)17-8-6-7-9-18(17)22(19)14-21-25(23,24)16-12-10-15(2)11-13-16/h5-13,21H,14H2,1-4H3/b19-5-.
What are the key properties of N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide?
N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2Z)-2-ethylidene-3,3-dimethylindol-1-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 163666804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).