6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

C24H24Cl2N4O3S — CID 3250689

IUPAC6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1
InChIInChI=1S/C24H24Cl2N4O3S/c1-13-5-7-14(8-6-13)34(32,33)30-29-21(31)24-10-9-23(4,22(24,2)3)19-20(24)28-18-12-16(26)15(25)11-17(18)27-19/h5-8,11-12,30H,9-10H2,1-4H3,(H,29,31)
InChIKeyAPQCAJDWXLVRHJ-UHFFFAOYSA-N
MW519.45 g/mol
LogP4.58
Rot. Bonds4

About 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (PubChem CID 3250689) has the molecular formula C24H24Cl2N4O3S and a molecular weight of 519.45 g/mol. Its IUPAC name is 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.

Molecular Properties

Compound Name6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
PubChem CID3250689
Molecular FormulaC24H24Cl2N4O3S
Molecular Weight519.45 g/mol
Exact Mass518.09
IUPAC Name6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1
InChIInChI=1S/C24H24Cl2N4O3S/c1-13-5-7-14(8-6-13)34(32,33)30-29-21(31)24-10-9-23(4,22(24,2)3)19-20(24)28-18-12-16(26)15(25)11-17(18)27-19/h5-8,11-12,30H,9-10H2,1-4H3,(H,29,31)
InChIKeyAPQCAJDWXLVRHJ-UHFFFAOYSA-N
XLogP4.58
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The IUPAC name of 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (CID 3250689) is 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.
What is the SMILES notation for 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The canonical SMILES for 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1.
What is the InChIKey of 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The InChIKey is APQCAJDWXLVRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3S/c1-13-5-7-14(8-6-13)34(32,33)30-29-21(31)24-10-9-23(4,22(24,2)3)19-20(24)28-18-12-16(26)15(25)11-17(18)27-19/h5-8,11-12,30H,9-10H2,1-4H3,(H,29,31).
What are the key properties of 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide has a molecular weight of 519.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-12,15,15-trimethyl-N'-(4-methylphenyl)sulfonyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 3250689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).