N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

C23H26N2O3S — CID 20945827

IUPACN,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1
InChIInChI=1S/C23H26N2O3S/c1-14-7-6-8-16(9-14)25(5)29(27,28)21-11-18-17(10-15(21)2)22-19(24-18)12-23(3,4)13-20(22)26/h6-11,24H,12-13H2,1-5H3
InChIKeyOXFFVZUAPRGQIL-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.76
Rot. Bonds3

About N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20945827) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound NameN,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20945827
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1
InChIInChI=1S/C23H26N2O3S/c1-14-7-6-8-16(9-14)25(5)29(27,28)21-11-18-17(10-15(21)2)22-19(24-18)12-23(3,4)13-20(22)26/h6-11,24H,12-13H2,1-5H3
InChIKeyOXFFVZUAPRGQIL-UHFFFAOYSA-N
XLogP4.76
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20945827) is N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1.
What is the InChIKey of N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is OXFFVZUAPRGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-14-7-6-8-16(9-14)25(5)29(27,28)21-11-18-17(10-15(21)2)22-19(24-18)12-23(3,4)13-20(22)26/h6-11,24H,12-13H2,1-5H3.
What are the key properties of N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20945827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).