3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide

C21H26N2O2S — CID 141152297

IUPAC3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide
SMILESCCCCCCc1cc(-c2cc3ccccc3[nH]2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C21H26N2O2S/c1-3-4-5-6-9-16-12-18(14-21(15(16)2)26(22,24)25)20-13-17-10-7-8-11-19(17)23-20/h7-8,10-14,23H,3-6,9H2,1-2H3,(H2,22,24,25)
InChIKeyFALIOUHRERDHSZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.91
Rot. Bonds7

About 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide

3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide (PubChem CID 141152297) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide
PubChem CID141152297
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide
SMILESCCCCCCc1cc(-c2cc3ccccc3[nH]2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C21H26N2O2S/c1-3-4-5-6-9-16-12-18(14-21(15(16)2)26(22,24)25)20-13-17-10-7-8-11-19(17)23-20/h7-8,10-14,23H,3-6,9H2,1-2H3,(H2,22,24,25)
InChIKeyFALIOUHRERDHSZ-UHFFFAOYSA-N
XLogP4.91
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.91
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

2-nonylbenzenesulfonamide
CID 70447042
2,3-di(nonyl)naphthalene-1-sulfonamide
CID 163976161
3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine
CID 175181341
2-(5-decyl-2-pyridinyl)-1H-indole
CID 150354876
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
4-iodo-2-pentylbenzenesulfonamide
CID 22908610
3-dodecyl-2-methylbenzenesulfonic acid
CID 14917352
1-ethyl-2-henicosylbenzene
CID 141174443

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide (CID 141152297) is 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide is CCCCCCc1cc(-c2cc3ccccc3[nH]2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is FALIOUHRERDHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-3-4-5-6-9-16-12-18(14-21(15(16)2)26(22,24)25)20-13-17-10-7-8-11-19(17)23-20/h7-8,10-14,23H,3-6,9H2,1-2H3,(H2,22,24,25).
What are the key properties of 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide?
3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-(1H-indol-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 141152297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).