N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide

C11H12BrF2N3O3S — CID 114384074

IUPACN-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C11H12BrF2N3O3S/c12-7-3-8-6(2-10(18)17-8)1-9(7)21(19,20)16-5-11(13,14)4-15/h1,3,16H,2,4-5,15H2,(H,17,18)
InChIKeyBYUZKOYBQHBKQM-UHFFFAOYSA-N
MW384.20 g/mol
LogP0.82
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 114384074) has the molecular formula C11H12BrF2N3O3S and a molecular weight of 384.20 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID114384074
Molecular FormulaC11H12BrF2N3O3S
Molecular Weight384.20 g/mol
Exact Mass382.98
IUPAC NameN-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C11H12BrF2N3O3S/c12-7-3-8-6(2-10(18)17-8)1-9(7)21(19,20)16-5-11(13,14)4-15/h1,3,16H,2,4-5,15H2,(H,17,18)
InChIKeyBYUZKOYBQHBKQM-UHFFFAOYSA-N
XLogP0.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 114384074) is N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide is NCC(F)(F)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is BYUZKOYBQHBKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N3O3S/c12-7-3-8-6(2-10(18)17-8)1-9(7)21(19,20)16-5-11(13,14)4-15/h1,3,16H,2,4-5,15H2,(H,17,18).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 384.20 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-6-bromo-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 114384074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).