2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

C20H20N2O4S — CID 57321430

IUPAC2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCc1c(C(=O)OCCS(C)(=O)=O)[nH]c2cc3c([nH]c4ccccc43)c(C)c12
InChIInChI=1S/C20H20N2O4S/c1-11-17-12(2)19(20(23)26-8-9-27(3,24)25)22-16(17)10-14-13-6-4-5-7-15(13)21-18(11)14/h4-7,10,21-22H,8-9H2,1-3H3
InChIKeyQLMMLGQVUOHAAG-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.62
Rot. Bonds4

About 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate

2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (PubChem CID 57321430) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.

Molecular Properties

Compound Name2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
PubChem CID57321430
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
SMILESCc1c(C(=O)OCCS(C)(=O)=O)[nH]c2cc3c([nH]c4ccccc43)c(C)c12
InChIInChI=1S/C20H20N2O4S/c1-11-17-12(2)19(20(23)26-8-9-27(3,24)25)22-16(17)10-14-13-6-4-5-7-15(13)21-18(11)14/h4-7,10,21-22H,8-9H2,1-3H3
InChIKeyQLMMLGQVUOHAAG-UHFFFAOYSA-N
XLogP3.62
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The IUPAC name of 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate (CID 57321430) is 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate.
What is the SMILES notation for 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The canonical SMILES for 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is Cc1c(C(=O)OCCS(C)(=O)=O)[nH]c2cc3c([nH]c4ccccc43)c(C)c12.
What is the InChIKey of 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
The InChIKey is QLMMLGQVUOHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-11-17-12(2)19(20(23)26-8-9-27(3,24)25)22-16(17)10-14-13-6-4-5-7-15(13)21-18(11)14/h4-7,10,21-22H,8-9H2,1-3H3.
What are the key properties of 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate?
2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylethyl 1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate is sourced from PubChem (CID 57321430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).