N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride

C15H24BrClN2O3S — CID 119998568

IUPACN-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC1(N)CCCCCC1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-21-13-7-6-12(16)10-14(13)22(19,20)18-11-15(17)8-4-2-3-5-9-15;/h6-7,10,18H,2-5,8-9,11,17H2,1H3;1H
InChIKeyQOUHDSDULJUYOH-UHFFFAOYSA-N
MW427.79 g/mol
LogP3.21
Rot. Bonds5

About N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride

N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119998568) has the molecular formula C15H24BrClN2O3S and a molecular weight of 427.79 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID119998568
Molecular FormulaC15H24BrClN2O3S
Molecular Weight427.79 g/mol
Exact Mass426.04
IUPAC NameN-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC1(N)CCCCCC1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-21-13-7-6-12(16)10-14(13)22(19,20)18-11-15(17)8-4-2-3-5-9-15;/h6-7,10,18H,2-5,8-9,11,17H2,1H3;1H
InChIKeyQOUHDSDULJUYOH-UHFFFAOYSA-N
XLogP3.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 120998687
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide
CID 120874306
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 103848139
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
5-bromo-N-(2-cyano-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 113372044

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride (CID 119998568) is N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride is COc1ccc(Br)cc1S(=O)(=O)NCC1(N)CCCCCC1.Cl.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is QOUHDSDULJUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S.ClH/c1-21-13-7-6-12(16)10-14(13)22(19,20)18-11-15(17)8-4-2-3-5-9-15;/h6-7,10,18H,2-5,8-9,11,17H2,1H3;1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 427.79 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119998568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).