N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

C15H15BrN2O2S — CID 12606928

IUPACN-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C15H15BrN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2
InChIKeyXPCZZNMAAGWSQK-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.90
Rot. Bonds3

About N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 12606928) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID12606928
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C15H15BrN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2
InChIKeyXPCZZNMAAGWSQK-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606935
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
2-N,7-N-bis(4-bromophenyl)-9H-fluorene-2,7-disulfonamide
CID 3112211
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 167812473
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 135136269
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
2,2-dimethyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonylamino)phenyl]propanamide
CID 142040428

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 12606928) is N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is XPCZZNMAAGWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2.
What are the key properties of N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 367.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is sourced from PubChem (CID 12606928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).