N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride

C10H15BrCl2N2O3S — CID 119962253

IUPACN-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(Br)c(S(=O)(=O)NCCCN)cc1Cl.Cl
InChIInChI=1S/C10H14BrClN2O3S.ClH/c1-17-9-5-7(11)10(6-8(9)12)18(15,16)14-4-2-3-13;/h5-6,14H,2-4,13H2,1H3;1H
InChIKeyHBGKWPNGENXBQJ-UHFFFAOYSA-N
MW394.12 g/mol
LogP2.16
Rot. Bonds6

About N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119962253) has the molecular formula C10H15BrCl2N2O3S and a molecular weight of 394.12 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID119962253
Molecular FormulaC10H15BrCl2N2O3S
Molecular Weight394.12 g/mol
Exact Mass391.94
IUPAC NameN-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(Br)c(S(=O)(=O)NCCCN)cc1Cl.Cl
InChIInChI=1S/C10H14BrClN2O3S.ClH/c1-17-9-5-7(11)10(6-8(9)12)18(15,16)14-4-2-3-13;/h5-6,14H,2-4,13H2,1H3;1H
InChIKeyHBGKWPNGENXBQJ-UHFFFAOYSA-N
XLogP2.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.12
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide
CID 119972697
N-(3-aminopropyl)-4-bromo-5-fluoro-2-methoxybenzenesulfonamide
CID 120706820
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
N-(4-aminobutyl)-2-bromo-4-methoxybenzenesulfonamide
CID 120713433
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide
CID 75451292
N-(3-aminopropyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 119962082
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
N-(3-aminopropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120706699
4-bromo-2,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707315
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride (CID 119962253) is N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride is COc1cc(Br)c(S(=O)(=O)NCCCN)cc1Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is HBGKWPNGENXBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O3S.ClH/c1-17-9-5-7(11)10(6-8(9)12)18(15,16)14-4-2-3-13;/h5-6,14H,2-4,13H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 394.12 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119962253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).