tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate

C26H23NO5S — CID 50936709

IUPACtert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc4cc(C(=O)OC(C)(C)C)oc4cc32)cc1
InChIInChI=1S/C26H23NO5S/c1-16-9-11-18(12-10-16)33(29,30)27-21-8-6-5-7-19(21)20-13-17-14-24(25(28)32-26(2,3)4)31-23(17)15-22(20)27/h5-15H,1-4H3
InChIKeyMTCBDPAUSLUCCJ-UHFFFAOYSA-N
MW461.54 g/mol
LogP6.04
Rot. Bonds3

About tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate

tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate (PubChem CID 50936709) has the molecular formula C26H23NO5S and a molecular weight of 461.54 g/mol. Its IUPAC name is tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate
PubChem CID50936709
Molecular FormulaC26H23NO5S
Molecular Weight461.54 g/mol
Exact Mass461.13
IUPAC Nametert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc4cc(C(=O)OC(C)(C)C)oc4cc32)cc1
InChIInChI=1S/C26H23NO5S/c1-16-9-11-18(12-10-16)33(29,30)27-21-8-6-5-7-19(21)20-13-17-14-24(25(28)32-26(2,3)4)31-23(17)15-22(20)27/h5-15H,1-4H3
InChIKeyMTCBDPAUSLUCCJ-UHFFFAOYSA-N
XLogP6.04
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.54
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 9-(4-methylphenyl)sulfonyl-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]furan-2-yl]pyrido[3,4-b]indole-3-carboxylate
CID 50936648
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135
3-methyl-1-(4-methylphenyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole
CID 132547779
tert-butyl 4-(benzenesulfonyl)-1,3-dimethylpyrrolo[3,4-b]indole-2-carboxylate
CID 11080394
methyl 1,4-dimethyl-5-(4-methylphenyl)sulfonylpyrido[4,3-b]indole-3-carboxylate
CID 135033651
methyl 1,4-dimethyl-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylate
CID 135033650
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521
methyl 1-(5-ethylsulfanylcarbonylfuran-2-yl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole-3-carboxylate
CID 50936880

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate?
The IUPAC name of tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate (CID 50936709) is tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate.
What is the SMILES notation for tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate?
The canonical SMILES for tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate is Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc4cc(C(=O)OC(C)(C)C)oc4cc32)cc1.
What is the InChIKey of tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate?
The InChIKey is MTCBDPAUSLUCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5S/c1-16-9-11-18(12-10-16)33(29,30)27-21-8-6-5-7-19(21)20-13-17-14-24(25(28)32-26(2,3)4)31-23(17)15-22(20)27/h5-15H,1-4H3.
What are the key properties of tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate?
tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate has a molecular weight of 461.54 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate is sourced from PubChem (CID 50936709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).