2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide

C17H15N3O2S — CID 110782386

IUPAC2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESCc1[nH]c2ccccc2c1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H15N3O2S/c1-12-15(14-7-3-4-8-16(14)20-12)11-19-23(21,22)17-9-5-2-6-13(17)10-18/h2-9,19-20H,11H2,1H3
InChIKeyMWVPWNFIZBHQJT-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.83
Rot. Bonds4

About 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide

2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide (PubChem CID 110782386) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
PubChem CID110782386
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESCc1[nH]c2ccccc2c1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H15N3O2S/c1-12-15(14-7-3-4-8-16(14)20-12)11-19-23(21,22)17-9-5-2-6-13(17)10-18/h2-9,19-20H,11H2,1H3
InChIKeyMWVPWNFIZBHQJT-UHFFFAOYSA-N
XLogP2.83
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66547073
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
N-{2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11677372
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825383

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide (CID 110782386) is 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide is Cc1[nH]c2ccccc2c1CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The InChIKey is MWVPWNFIZBHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12-15(14-7-3-4-8-16(14)20-12)11-19-23(21,22)17-9-5-2-6-13(17)10-18/h2-9,19-20H,11H2,1H3.
What are the key properties of 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110782386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).