2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

C14H11BrN2O3S — CID 20933329

IUPAC2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESO=C1Cc2cc(NS(=O)(=O)c3ccccc3Br)ccc2N1
InChIInChI=1S/C14H11BrN2O3S/c15-11-3-1-2-4-13(11)21(19,20)17-10-5-6-12-9(7-10)8-14(18)16-12/h1-7,17H,8H2,(H,16,18)
InChIKeyUSSSZRUFSHWPAL-UHFFFAOYSA-N
MW367.22 g/mol
LogP2.74
Rot. Bonds3

About 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (PubChem CID 20933329) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
PubChem CID20933329
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESO=C1Cc2cc(NS(=O)(=O)c3ccccc3Br)ccc2N1
InChIInChI=1S/C14H11BrN2O3S/c15-11-3-1-2-4-13(11)21(19,20)17-10-5-6-12-9(7-10)8-14(18)16-12/h1-7,17H,8H2,(H,16,18)
InChIKeyUSSSZRUFSHWPAL-UHFFFAOYSA-N
XLogP2.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (CID 20933329) is 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is O=C1Cc2cc(NS(=O)(=O)c3ccccc3Br)ccc2N1.
What is the InChIKey of 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The InChIKey is USSSZRUFSHWPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c15-11-3-1-2-4-13(11)21(19,20)17-10-5-6-12-9(7-10)8-14(18)16-12/h1-7,17H,8H2,(H,16,18).
What are the key properties of 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide has a molecular weight of 367.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20933329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).