N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide

C15H13BrClNO2S — CID 114297947

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Br)c1ccccc1Cl
InChIInChI=1S/C15H13BrClNO2S/c16-12-9-10-5-1-2-6-11(10)15(12)18-21(19,20)14-8-4-3-7-13(14)17/h1-8,12,15,18H,9H2
InChIKeyHDVMPSNOJHTFIQ-UHFFFAOYSA-N
MW386.70 g/mol
LogP3.68
Rot. Bonds3

About N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide (PubChem CID 114297947) has the molecular formula C15H13BrClNO2S and a molecular weight of 386.70 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide
PubChem CID114297947
Molecular FormulaC15H13BrClNO2S
Molecular Weight386.70 g/mol
Exact Mass384.95
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Br)c1ccccc1Cl
InChIInChI=1S/C15H13BrClNO2S/c16-12-9-10-5-1-2-6-11(10)15(12)18-21(19,20)14-8-4-3-7-13(14)17/h1-8,12,15,18H,9H2
InChIKeyHDVMPSNOJHTFIQ-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 114297807
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-1H-imidazole-5-sulfonamide
CID 114297922
2-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 103825572
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 114297933
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2,5-dibromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-sulfonamide
CID 102739058
5-bromo-4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
CID 80577493
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide (CID 114297947) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide is O=S(=O)(NC1c2ccccc2CC1Br)c1ccccc1Cl.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide?
The InChIKey is HDVMPSNOJHTFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2S/c16-12-9-10-5-1-2-6-11(10)15(12)18-21(19,20)14-8-4-3-7-13(14)17/h1-8,12,15,18H,9H2.
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide has a molecular weight of 386.70 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 114297947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).