9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione

C22H15NO5S2 — CID 11797239

IUPAC9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione
SMILESCCSc1c2c(cc3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)OC2=O
InChIInChI=1S/C22H15NO5S2/c1-2-29-20-18-16(21(24)28-22(18)25)12-15-14-10-6-7-11-17(14)23(19(15)20)30(26,27)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyPQAQRFQLTHYUGO-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.45
Rot. Bonds4

About 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione

9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione (PubChem CID 11797239) has the molecular formula C22H15NO5S2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione.

Molecular Properties

Compound Name9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione
PubChem CID11797239
Molecular FormulaC22H15NO5S2
Molecular Weight437.50 g/mol
Exact Mass437.04
IUPAC Name9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione
SMILESCCSc1c2c(cc3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)OC2=O
InChIInChI=1S/C22H15NO5S2/c1-2-29-20-18-16(21(24)28-22(18)25)12-15-14-10-6-7-11-17(14)23(19(15)20)30(26,27)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyPQAQRFQLTHYUGO-UHFFFAOYSA-N
XLogP4.45
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 88904816
CID 88904816
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CID 14416105
3-methyl-1-(4-methylphenyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole
CID 132547779
ethyl (2Z)-2-[4-(benzenesulfonyl)-3-oxofuro[3,4-b]indol-1-ylidene]propanoate
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9-(benzenesulfonyl)-3-(2-naphthalen-2-ylethyl)carbazole
CID 14594824
methyl 1-(5-ethylsulfanylcarbonylfuran-2-yl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylate
CID 50936880
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
9-(4-methylphenyl)sulfonyl-1-phenylthiopyrano[3,4-b]indole-3-thione
CID 50936650
1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole
CID 14615864
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione?
The IUPAC name of 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione (CID 11797239) is 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione.
What is the SMILES notation for 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione?
The canonical SMILES for 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione is CCSc1c2c(cc3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)OC2=O.
What is the InChIKey of 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione?
The InChIKey is PQAQRFQLTHYUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO5S2/c1-2-29-20-18-16(21(24)28-22(18)25)12-15-14-10-6-7-11-17(14)23(19(15)20)30(26,27)13-8-4-3-5-9-13/h3-12H,2H2,1H3.
What are the key properties of 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione?
9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione has a molecular weight of 437.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione is sourced from PubChem (CID 11797239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).