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

C26H24N2O5S2 — CID 1105985

IUPAC4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCCC2=O)cc1
InChIInChI=1S/C26H24N2O5S2/c1-17-6-11-20(12-7-17)34(30,31)27-19-10-15-23-22(16-19)26-24(4-3-5-25(26)29)28(23)35(32,33)21-13-8-18(2)9-14-21/h6-16,27H,3-5H2,1-2H3
InChIKeyAWWRDRQFWBNGHU-UHFFFAOYSA-N
MW508.62 g/mol
LogP4.81
Rot. Bonds5

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

4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide (PubChem CID 1105985) has the molecular formula C26H24N2O5S2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide
PubChem CID1105985
Molecular FormulaC26H24N2O5S2
Molecular Weight508.62 g/mol
Exact Mass508.11
IUPAC Name4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCCC2=O)cc1
InChIInChI=1S/C26H24N2O5S2/c1-17-6-11-20(12-7-17)34(30,31)27-19-10-15-23-22(16-19)26-24(4-3-5-25(26)29)28(23)35(32,33)21-13-8-18(2)9-14-21/h6-16,27H,3-5H2,1-2H3
InChIKeyAWWRDRQFWBNGHU-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide (CID 1105985) is 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCCC2=O)cc1.
What is the InChIKey of 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
The InChIKey is AWWRDRQFWBNGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S2/c1-17-6-11-20(12-7-17)34(30,31)27-19-10-15-23-22(16-19)26-24(4-3-5-25(26)29)28(23)35(32,33)21-13-8-18(2)9-14-21/h6-16,27H,3-5H2,1-2H3.
What are the key properties of 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide?
4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide has a molecular weight of 508.62 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[9-(4-methylphenyl)sulfonyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 1105985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).