ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate

C22H19NO4S — CID 102400135

IUPACethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2cc1C
InChIInChI=1S/C22H19NO4S/c1-3-27-22(24)18-14-19-17-11-7-8-12-20(17)23(21(19)13-15(18)2)28(25,26)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3
InChIKeyBDCIANWSEVXIDH-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.52
Rot. Bonds4

About ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate

ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate (PubChem CID 102400135) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
PubChem CID102400135
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Nameethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2cc1C
InChIInChI=1S/C22H19NO4S/c1-3-27-22(24)18-14-19-17-11-7-8-12-20(17)23(21(19)13-15(18)2)28(25,26)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3
InChIKeyBDCIANWSEVXIDH-UHFFFAOYSA-N
XLogP4.52
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-[1-(benzenesulfonyl)indol-3-yl]-1H-pyrrole-3-carboxylate
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9-(benzenesulfonyl)-4-methylcarbazole
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ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate?
The IUPAC name of ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate (CID 102400135) is ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate.
What is the SMILES notation for ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate?
The canonical SMILES for ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(S(=O)(=O)c3ccccc3)c2cc1C.
What is the InChIKey of ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate?
The InChIKey is BDCIANWSEVXIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-3-27-22(24)18-14-19-17-11-7-8-12-20(17)23(21(19)13-15(18)2)28(25,26)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate?
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate has a molecular weight of 393.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate is sourced from PubChem (CID 102400135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).