N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C15H15BrN2O2S — CID 107421746

IUPACN-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CNC3)ccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10-6-13(3-5-15(10)16)18-21(19,20)14-4-2-11-8-17-9-12(11)7-14/h2-7,17-18H,8-9H2,1H3
InChIKeyBILPTZUYJLPMKM-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.16
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421746) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421746
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CNC3)ccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10-6-13(3-5-15(10)16)18-21(19,20)14-4-2-11-8-17-9-12(11)7-14/h2-7,17-18H,8-9H2,1H3
InChIKeyBILPTZUYJLPMKM-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421746) is N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)CNC3)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is BILPTZUYJLPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-6-13(3-5-15(10)16)18-21(19,20)14-4-2-11-8-17-9-12(11)7-14/h2-7,17-18H,8-9H2,1H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 367.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).