2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide

C14H12Br2N2O2S — CID 60824049

IUPAC2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCN2)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2S/c15-10-1-4-14(12(16)8-10)21(19,20)18-11-2-3-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2
InChIKeyFWLUVIDTVKGODF-UHFFFAOYSA-N
MW432.14 g/mol
LogP3.98
Rot. Bonds3

About 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide

2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide (PubChem CID 60824049) has the molecular formula C14H12Br2N2O2S and a molecular weight of 432.14 g/mol. Its IUPAC name is 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
PubChem CID60824049
Molecular FormulaC14H12Br2N2O2S
Molecular Weight432.14 g/mol
Exact Mass429.90
IUPAC Name2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCN2)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2S/c15-10-1-4-14(12(16)8-10)21(19,20)18-11-2-3-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2
InChIKeyFWLUVIDTVKGODF-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.14
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
CID 43604283
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604300
2,6-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604311
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107626863
2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 62632226
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide (CID 60824049) is 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCN2)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is FWLUVIDTVKGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2S/c15-10-1-4-14(12(16)8-10)21(19,20)18-11-2-3-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2.
What are the key properties of 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide has a molecular weight of 432.14 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 60824049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).