9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole

C24H15NO2S3 — CID 102475949

IUPAC9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc3cc(-c4cccs4)sc3cc21
InChIInChI=1S/C24H15NO2S3/c26-30(27,17-7-2-1-3-8-17)25-20-10-5-4-9-18(20)19-13-16-14-24(22-11-6-12-28-22)29-23(16)15-21(19)25/h1-15H
InChIKeyPSCPRRLHFAPCMQ-UHFFFAOYSA-N
MW445.59 g/mol
LogP6.97
Rot. Bonds3

About 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole

9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole (PubChem CID 102475949) has the molecular formula C24H15NO2S3 and a molecular weight of 445.59 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole
PubChem CID102475949
Molecular FormulaC24H15NO2S3
Molecular Weight445.59 g/mol
Exact Mass445.03
IUPAC Name9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccccc2c2cc3cc(-c4cccs4)sc3cc21
InChIInChI=1S/C24H15NO2S3/c26-30(27,17-7-2-1-3-8-17)25-20-10-5-4-9-18(20)19-13-16-14-24(22-11-6-12-28-22)29-23(16)15-21(19)25/h1-15H
InChIKeyPSCPRRLHFAPCMQ-UHFFFAOYSA-N
XLogP6.97
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole?
The IUPAC name of 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole (CID 102475949) is 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole.
What is the SMILES notation for 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole?
The canonical SMILES for 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole is O=S(=O)(c1ccccc1)n1c2ccccc2c2cc3cc(-c4cccs4)sc3cc21.
What is the InChIKey of 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole?
The InChIKey is PSCPRRLHFAPCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO2S3/c26-30(27,17-7-2-1-3-8-17)25-20-10-5-4-9-18(20)19-13-16-14-24(22-11-6-12-28-22)29-23(16)15-21(19)25/h1-15H.
What are the key properties of 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole?
9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole has a molecular weight of 445.59 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole is sourced from PubChem (CID 102475949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).