4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide

C28H28N2O7S2 — CID 1016060

IUPAC4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(OCC)cc3)CCCC2=O)cc1
InChIInChI=1S/C28H28N2O7S2/c1-3-36-20-9-13-22(14-10-20)38(32,33)29-19-8-17-25-24(18-19)28-26(6-5-7-27(28)31)30(25)39(34,35)23-15-11-21(12-16-23)37-4-2/h8-18,29H,3-7H2,1-2H3
InChIKeyAUQZLUVFYZAWAH-UHFFFAOYSA-N
MW568.67 g/mol
LogP5.00
Rot. Bonds9

About 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide

4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide (PubChem CID 1016060) has the molecular formula C28H28N2O7S2 and a molecular weight of 568.67 g/mol. Its IUPAC name is 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide
PubChem CID1016060
Molecular FormulaC28H28N2O7S2
Molecular Weight568.67 g/mol
Exact Mass568.13
IUPAC Name4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(OCC)cc3)CCCC2=O)cc1
InChIInChI=1S/C28H28N2O7S2/c1-3-36-20-9-13-22(14-10-20)38(32,33)29-19-8-17-25-24(18-19)28-26(6-5-7-27(28)31)30(25)39(34,35)23-15-11-21(12-16-23)37-4-2/h8-18,29H,3-7H2,1-2H3
InChIKeyAUQZLUVFYZAWAH-UHFFFAOYSA-N
XLogP5.00
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.67
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide (CID 1016060) is 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(OCC)cc3)CCCC2=O)cc1.
What is the InChIKey of 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
The InChIKey is AUQZLUVFYZAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O7S2/c1-3-36-20-9-13-22(14-10-20)38(32,33)29-19-8-17-25-24(18-19)28-26(6-5-7-27(28)31)30(25)39(34,35)23-15-11-21(12-16-23)37-4-2/h8-18,29H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide has a molecular weight of 568.67 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[9-(4-ethoxyphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 1016060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).