N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide

C24H28N2O3S — CID 20946043

IUPACN,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N(CC)c1ccccc1)CC(C)(C)CC3=O
InChIInChI=1S/C24H28N2O3S/c1-5-16-12-18-19(25-20-14-24(3,4)15-21(27)23(18)20)13-22(16)30(28,29)26(6-2)17-10-8-7-9-11-17/h7-13,25H,5-6,14-15H2,1-4H3
InChIKeyRWKBKMLEMQVPQV-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.10
Rot. Bonds5

About N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide

N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20946043) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound NameN,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20946043
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N(CC)c1ccccc1)CC(C)(C)CC3=O
InChIInChI=1S/C24H28N2O3S/c1-5-16-12-18-19(25-20-14-24(3,4)15-21(27)23(18)20)13-22(16)30(28,29)26(6-2)17-10-8-7-9-11-17/h7-13,25H,5-6,14-15H2,1-4H3
InChIKeyRWKBKMLEMQVPQV-UHFFFAOYSA-N
XLogP5.10
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20946043) is N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide is CCc1cc2c3c([nH]c2cc1S(=O)(=O)N(CC)c1ccccc1)CC(C)(C)CC3=O.
What is the InChIKey of N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is RWKBKMLEMQVPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-5-16-12-18-19(25-20-14-24(3,4)15-21(27)23(18)20)13-22(16)30(28,29)26(6-2)17-10-8-7-9-11-17/h7-13,25H,5-6,14-15H2,1-4H3.
What are the key properties of N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide?
N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-7,7-dimethyl-5-oxo-N-phenyl-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20946043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).