2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide

C14H14BrN3O2S — CID 62150632

IUPAC2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H14BrN3O2S/c15-11-7-13(14(16)17-8-11)21(19,20)18-12-5-4-9-2-1-3-10(9)6-12/h4-8,18H,1-3H2,(H2,16,17)
InChIKeyQOMKBNQOTORSQC-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide (PubChem CID 62150632) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide
PubChem CID62150632
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H14BrN3O2S/c15-11-7-13(14(16)17-8-11)21(19,20)18-12-5-4-9-2-1-3-10(9)6-12/h4-8,18H,1-3H2,(H2,16,17)
InChIKeyQOMKBNQOTORSQC-UHFFFAOYSA-N
XLogP2.72
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 43258379
2-amino-5-bromo-N-(3-iodophenyl)pyridine-3-sulfonamide
CID 55043820
2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62813648
2-amino-5-bromo-N-(3-cyanophenyl)pyridine-3-sulfonamide
CID 62145031
N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
CID 22515885
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
CID 106059579

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide (CID 62150632) is 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide?
The InChIKey is QOMKBNQOTORSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c15-11-7-13(14(16)17-8-11)21(19,20)18-12-5-4-9-2-1-3-10(9)6-12/h4-8,18H,1-3H2,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide has a molecular weight of 368.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62150632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).