5-hexadecyl-1H-indole-2-sulfonamide

C24H40N2O2S — CID 70401330

IUPAC5-hexadecyl-1H-indole-2-sulfonamide
SMILESCCCCCCCCCCCCCCCCc1ccc2[nH]c(S(N)(=O)=O)cc2c1
InChIInChI=1S/C24H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-23-22(19-21)20-24(26-23)29(25,27)28/h17-20,26H,2-16H2,1H3,(H2,25,27,28)
InChIKeyAUQPRGXQTZCZQY-UHFFFAOYSA-N
MW420.66 g/mol
LogP6.84
Rot. Bonds16

About 5-hexadecyl-1H-indole-2-sulfonamide

5-hexadecyl-1H-indole-2-sulfonamide (PubChem CID 70401330) has the molecular formula C24H40N2O2S and a molecular weight of 420.66 g/mol. Its IUPAC name is 5-hexadecyl-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-hexadecyl-1H-indole-2-sulfonamide
PubChem CID70401330
Molecular FormulaC24H40N2O2S
Molecular Weight420.66 g/mol
Exact Mass420.28
IUPAC Name5-hexadecyl-1H-indole-2-sulfonamide
SMILESCCCCCCCCCCCCCCCCc1ccc2[nH]c(S(N)(=O)=O)cc2c1
InChIInChI=1S/C24H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-23-22(19-21)20-24(26-23)29(25,27)28/h17-20,26H,2-16H2,1H3,(H2,25,27,28)
InChIKeyAUQPRGXQTZCZQY-UHFFFAOYSA-N
XLogP6.84
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.66
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-nonylbenzenesulfonamide
CID 19845394
6-tridecylnaphthalene-2-sulfonic acid
CID 101315100
5-dodecyl-1H-indazole
CID 67799721
potassium 7-tetradecylnaphthalene-2-sulfonate
CID 101317266
3,7-di(tetradecyl)naphthalene-1-sulfonic acid
CID 101319195
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2-ethyl-5-propyl-1H-indole
CID 86257176
7-octylanthracen-2-amine
CID 87887056
(4-hexadecylphenyl) sulfamate
CID 10596981
calcium bis(3,6-di(undecyl)naphthalene-1-sulfonate)
CID 101324641
calcium bis(3,6-di(nonyl)naphthalene-1-sulfonate)
CID 101324601

Frequently Asked Questions

What is the IUPAC name of 5-hexadecyl-1H-indole-2-sulfonamide?
The IUPAC name of 5-hexadecyl-1H-indole-2-sulfonamide (CID 70401330) is 5-hexadecyl-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-hexadecyl-1H-indole-2-sulfonamide?
The canonical SMILES for 5-hexadecyl-1H-indole-2-sulfonamide is CCCCCCCCCCCCCCCCc1ccc2[nH]c(S(N)(=O)=O)cc2c1.
What is the InChIKey of 5-hexadecyl-1H-indole-2-sulfonamide?
The InChIKey is AUQPRGXQTZCZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-23-22(19-21)20-24(26-23)29(25,27)28/h17-20,26H,2-16H2,1H3,(H2,25,27,28).
What are the key properties of 5-hexadecyl-1H-indole-2-sulfonamide?
5-hexadecyl-1H-indole-2-sulfonamide has a molecular weight of 420.66 g/mol, XLogP of 6.84, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexadecyl-1H-indole-2-sulfonamide is sourced from PubChem (CID 70401330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).