6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole

C23H22FN3O2S — CID 134230868

IUPAC6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole
SMILESCC(C)c1cn(-c2ccc(NS(N)(=O)=O)cc2)c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C23H22FN3O2S/c1-15(2)22-14-27(20-10-8-19(9-11-20)26-30(25,28)29)23-13-17(5-12-21(22)23)16-3-6-18(24)7-4-16/h3-15,26H,1-2H3,(H2,25,28,29)
InChIKeyDWHJRCSHUPNBIQ-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.18
Rot. Bonds5

About 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole

6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole (PubChem CID 134230868) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole
PubChem CID134230868
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole
SMILESCC(C)c1cn(-c2ccc(NS(N)(=O)=O)cc2)c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C23H22FN3O2S/c1-15(2)22-14-27(20-10-8-19(9-11-20)26-30(25,28)29)23-13-17(5-12-21(22)23)16-3-6-18(24)7-4-16/h3-15,26H,1-2H3,(H2,25,28,29)
InChIKeyDWHJRCSHUPNBIQ-UHFFFAOYSA-N
XLogP5.18
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole?
The IUPAC name of 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole (CID 134230868) is 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole.
What is the SMILES notation for 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole?
The canonical SMILES for 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole is CC(C)c1cn(-c2ccc(NS(N)(=O)=O)cc2)c2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole?
The InChIKey is DWHJRCSHUPNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-15(2)22-14-27(20-10-8-19(9-11-20)26-30(25,28)29)23-13-17(5-12-21(22)23)16-3-6-18(24)7-4-16/h3-15,26H,1-2H3,(H2,25,28,29).
What are the key properties of 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole?
6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole has a molecular weight of 423.51 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-propan-2-yl-1-[4-(sulfamoylamino)phenyl]indole is sourced from PubChem (CID 134230868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).