11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole

C30H28N2O2S — CID 25213604

IUPAC11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole
SMILESCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H28N2O2S/c1-2-3-4-12-19-31-27-17-10-8-15-23(27)25-21-30-26(20-29(25)31)24-16-9-11-18-28(24)32(30)35(33,34)22-13-6-5-7-14-22/h5-11,13-18,20-21H,2-4,12,19H2,1H3
InChIKeyXYFOHHFVAJDXSM-UHFFFAOYSA-N
MW480.63 g/mol
LogP7.72
Rot. Bonds7

About 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole

11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole (PubChem CID 25213604) has the molecular formula C30H28N2O2S and a molecular weight of 480.63 g/mol. Its IUPAC name is 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole
PubChem CID25213604
Molecular FormulaC30H28N2O2S
Molecular Weight480.63 g/mol
Exact Mass480.19
IUPAC Name11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole
SMILESCCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H28N2O2S/c1-2-3-4-12-19-31-27-17-10-8-15-23(27)25-21-30-26(20-29(25)31)24-16-9-11-18-28(24)32(30)35(33,34)22-13-6-5-7-14-22/h5-11,13-18,20-21H,2-4,12,19H2,1H3
InChIKeyXYFOHHFVAJDXSM-UHFFFAOYSA-N
XLogP7.72
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzenesulfonylgramine antagonist, 8
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1-(4-Iodo-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 10115854
4-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10274389
4-[3-(1-Methyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10291754
1-(Benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
CID 11187925
(R)-3-(1-methyl-2-pyrrolidinylmethyl)-1-phenylsulfonylindole
CID 11624561
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CID 15646698
N,N-dimethyl-2-(1-tosyl-1H-indol-3-yl)ethanamine
CID 44438719
1-(Naphthalene-1-sulfonyl)-6-(octahydro-indolizin-7-yl)-1H-indole
CID 9802776
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11314681
4-methyl-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11451904

Frequently Asked Questions

What is the IUPAC name of 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole?
The IUPAC name of 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole (CID 25213604) is 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole?
The canonical SMILES for 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole is CCCCCCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3S(=O)(=O)c1ccccc1.
What is the InChIKey of 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole?
The InChIKey is XYFOHHFVAJDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2S/c1-2-3-4-12-19-31-27-17-10-8-15-23(27)25-21-30-26(20-29(25)31)24-16-9-11-18-28(24)32(30)35(33,34)22-13-6-5-7-14-22/h5-11,13-18,20-21H,2-4,12,19H2,1H3.
What are the key properties of 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole?
11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole has a molecular weight of 480.63 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(benzenesulfonyl)-5-hexylindolo[3,2-b]carbazole is sourced from PubChem (CID 25213604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).