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

C16H16BrNO3S — CID 3314811

IUPAC5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H16BrNO3S/c1-21-15-7-6-13(17)10-16(15)22(19,20)18-14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,18H,8-9H2,1H3
InChIKeySJRFTLYHMJCABQ-UHFFFAOYSA-N
MW382.28 g/mol
LogP2.90
Rot. Bonds4

About 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide

5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 3314811) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
PubChem CID3314811
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC Name5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H16BrNO3S/c1-21-15-7-6-13(17)10-16(15)22(19,20)18-14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,18H,8-9H2,1H3
InChIKeySJRFTLYHMJCABQ-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
5-bromo-2-methoxy-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25040467
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
5-bromo-2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80602276
1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
CID 165437914
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
5-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methoxybenzenesulfonamide
CID 21092199
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
4-[(5-bromo-2-methoxyphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191150

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide (CID 3314811) is 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is SJRFTLYHMJCABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-21-15-7-6-13(17)10-16(15)22(19,20)18-14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,18H,8-9H2,1H3.
What are the key properties of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide?
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 382.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3314811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).