3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide

C15H13BrClNO2S — CID 107854598

IUPAC3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccccc2C1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2S/c16-14-9-13(5-6-15(14)17)21(19,20)18-12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12,18H,7-8H2
InChIKeyPSUMSXVHUIYWKU-UHFFFAOYSA-N
MW386.70 g/mol
LogP3.55
Rot. Bonds3

About 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide

3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide (PubChem CID 107854598) has the molecular formula C15H13BrClNO2S and a molecular weight of 386.70 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
PubChem CID107854598
Molecular FormulaC15H13BrClNO2S
Molecular Weight386.70 g/mol
Exact Mass384.95
IUPAC Name3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2ccccc2C1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2S/c16-14-9-13(5-6-15(14)17)21(19,20)18-12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12,18H,7-8H2
InChIKeyPSUMSXVHUIYWKU-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610930
5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107843564
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606485
4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 107847878
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
CID 107843583
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide (CID 107854598) is 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide is O=S(=O)(NC1Cc2ccccc2C1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The InChIKey is PSUMSXVHUIYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2S/c16-14-9-13(5-6-15(14)17)21(19,20)18-12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12,18H,7-8H2.
What are the key properties of 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide has a molecular weight of 386.70 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide is sourced from PubChem (CID 107854598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).