N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide

C26H24N2O5S2 — CID 1067678

IUPACN-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide
SMILESCC1(C)CC(=O)c2c(n(S(=O)(=O)c3ccccc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)C1
InChIInChI=1S/C26H24N2O5S2/c1-26(2)16-23-25(24(29)17-26)21-15-18(27-34(30,31)19-9-5-3-6-10-19)13-14-22(21)28(23)35(32,33)20-11-7-4-8-12-20/h3-15,27H,16-17H2,1-2H3
InChIKeyZCWOFTGAKCTFSL-UHFFFAOYSA-N
MW508.62 g/mol
LogP4.83
Rot. Bonds5

About N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide

N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide (PubChem CID 1067678) has the molecular formula C26H24N2O5S2 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide
PubChem CID1067678
Molecular FormulaC26H24N2O5S2
Molecular Weight508.62 g/mol
Exact Mass508.11
IUPAC NameN-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide
SMILESCC1(C)CC(=O)c2c(n(S(=O)(=O)c3ccccc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)C1
InChIInChI=1S/C26H24N2O5S2/c1-26(2)16-23-25(24(29)17-26)21-15-18(27-34(30,31)19-9-5-3-6-10-19)13-14-22(21)28(23)35(32,33)20-11-7-4-8-12-20/h3-15,27H,16-17H2,1-2H3
InChIKeyZCWOFTGAKCTFSL-UHFFFAOYSA-N
XLogP4.83
TPSA102.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide (CID 1067678) is N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide is CC1(C)CC(=O)c2c(n(S(=O)(=O)c3ccccc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)C1.
What is the InChIKey of N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide?
The InChIKey is ZCWOFTGAKCTFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S2/c1-26(2)16-23-25(24(29)17-26)21-15-18(27-34(30,31)19-9-5-3-6-10-19)13-14-22(21)28(23)35(32,33)20-11-7-4-8-12-20/h3-15,27H,16-17H2,1-2H3.
What are the key properties of N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide?
N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide has a molecular weight of 508.62 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(benzenesulfonyl)-7,7-dimethyl-5-oxo-6,8-dihydrocarbazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 1067678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).