5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde

C23H19ClFNO3S — CID 175776588

IUPAC5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde
SMILESCc1ccc(S(=O)(=O)N2c3c(F)cc(Cl)cc3C(C)(C=O)C2c2ccccc2)cc1
InChIInChI=1S/C23H19ClFNO3S/c1-15-8-10-18(11-9-15)30(28,29)26-21-19(12-17(24)13-20(21)25)23(2,14-27)22(26)16-6-4-3-5-7-16/h3-14,22H,1-2H3
InChIKeyOGEGQVPXGNZRDZ-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.19
Rot. Bonds4

About 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde

5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde (PubChem CID 175776588) has the molecular formula C23H19ClFNO3S and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde
PubChem CID175776588
Molecular FormulaC23H19ClFNO3S
Molecular Weight443.93 g/mol
Exact Mass443.08
IUPAC Name5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde
SMILESCc1ccc(S(=O)(=O)N2c3c(F)cc(Cl)cc3C(C)(C=O)C2c2ccccc2)cc1
InChIInChI=1S/C23H19ClFNO3S/c1-15-8-10-18(11-9-15)30(28,29)26-21-19(12-17(24)13-20(21)25)23(2,14-27)22(26)16-6-4-3-5-7-16/h3-14,22H,1-2H3
InChIKeyOGEGQVPXGNZRDZ-UHFFFAOYSA-N
XLogP5.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde (CID 175776588) is 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde is Cc1ccc(S(=O)(=O)N2c3c(F)cc(Cl)cc3C(C)(C=O)C2c2ccccc2)cc1.
What is the InChIKey of 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde?
The InChIKey is OGEGQVPXGNZRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO3S/c1-15-8-10-18(11-9-15)30(28,29)26-21-19(12-17(24)13-20(21)25)23(2,14-27)22(26)16-6-4-3-5-7-16/h3-14,22H,1-2H3.
What are the key properties of 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde?
5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde has a molecular weight of 443.93 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-indole-3-carbaldehyde is sourced from PubChem (CID 175776588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).