N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide

C15H13BrClNO2S — CID 81260770

IUPACN-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H13BrClNO2S/c16-14-7-5-12(17)9-15(14)18-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3H2
InChIKeyDXDFVLVQVYKQIQ-UHFFFAOYSA-N
MW386.70 g/mol
LogP4.39
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 81260770) has the molecular formula C15H13BrClNO2S and a molecular weight of 386.70 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID81260770
Molecular FormulaC15H13BrClNO2S
Molecular Weight386.70 g/mol
Exact Mass384.95
IUPAC NameN-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H13BrClNO2S/c16-14-7-5-12(17)9-15(14)18-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3H2
InChIKeyDXDFVLVQVYKQIQ-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 81281250
N-(5-bromo-2-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62908088
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26964949
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 18197740
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107606873
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 166375642
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 81260770) is N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Br)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is DXDFVLVQVYKQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2S/c16-14-7-5-12(17)9-15(14)18-21(19,20)13-6-4-10-2-1-3-11(10)8-13/h4-9,18H,1-3H2.
What are the key properties of N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 386.70 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 81260770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).