(4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide

C15H11BrFN2O3S- — CID 161317838

IUPAC(4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide
SMILESCOc1ccc2c(S(=O)(=O)[N-]c3ccc(Br)cc3F)c[nH]c2c1
InChIInChI=1S/C15H11BrFN2O3S/c1-22-10-3-4-11-14(7-10)18-8-15(11)23(20,21)19-13-5-2-9(16)6-12(13)17/h2-8,18H,1H3/q-1
InChIKeyVJSVJKUXPSRYSN-UHFFFAOYSA-N
MW398.23 g/mol
LogP4.47
Rot. Bonds4

About (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide

(4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide (PubChem CID 161317838) has the molecular formula C15H11BrFN2O3S- and a molecular weight of 398.23 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide
PubChem CID161317838
Molecular FormulaC15H11BrFN2O3S-
Molecular Weight398.23 g/mol
Exact Mass396.97
IUPAC Name(4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide
SMILESCOc1ccc2c(S(=O)(=O)[N-]c3ccc(Br)cc3F)c[nH]c2c1
InChIInChI=1S/C15H11BrFN2O3S/c1-22-10-3-4-11-14(7-10)18-8-15(11)23(20,21)19-13-5-2-9(16)6-12(13)17/h2-8,18H,1H3/q-1
InChIKeyVJSVJKUXPSRYSN-UHFFFAOYSA-N
XLogP4.47
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide?
The IUPAC name of (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide (CID 161317838) is (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide is COc1ccc2c(S(=O)(=O)[N-]c3ccc(Br)cc3F)c[nH]c2c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide?
The InChIKey is VJSVJKUXPSRYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN2O3S/c1-22-10-3-4-11-14(7-10)18-8-15(11)23(20,21)19-13-5-2-9(16)6-12(13)17/h2-8,18H,1H3/q-1.
What are the key properties of (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide?
(4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide has a molecular weight of 398.23 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[(6-methoxy-1H-indol-3-yl)sulfonyl]azanide is sourced from PubChem (CID 161317838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).