N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride

C16H20BrClN2O2S — CID 120664411

IUPACN-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C16H19BrN2O2S.ClH/c17-15-9-4-5-10-16(15)22(20,21)19(12-6-11-18)13-14-7-2-1-3-8-14;/h1-5,7-10H,6,11-13,18H2;1H
InChIKeyRRFDWZQWMKUVSV-UHFFFAOYSA-N
MW419.77 g/mol
LogP3.41
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride (PubChem CID 120664411) has the molecular formula C16H20BrClN2O2S and a molecular weight of 419.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
PubChem CID120664411
Molecular FormulaC16H20BrClN2O2S
Molecular Weight419.77 g/mol
Exact Mass418.01
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C16H19BrN2O2S.ClH/c17-15-9-4-5-10-16(15)22(20,21)19(12-6-11-18)13-14-7-2-1-3-8-14;/h1-5,7-10H,6,11-13,18H2;1H
InChIKeyRRFDWZQWMKUVSV-UHFFFAOYSA-N
XLogP3.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120664041
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120664424
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178
methyl 2-[3-aminopropyl(benzyl)sulfamoyl]-6-fluorobenzoate
CID 120664186
N-(3-aminopropyl)-N-benzyl-3-fluoro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120713836
N-(3-aminopropyl)-N-benzyl-2,3-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120664274
2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 121085252
N-(3-aminopropyl)-N-benzyl-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120664232

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride (CID 120664411) is N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride?
The InChIKey is RRFDWZQWMKUVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2S.ClH/c17-15-9-4-5-10-16(15)22(20,21)19(12-6-11-18)13-14-7-2-1-3-8-14;/h1-5,7-10H,6,11-13,18H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride has a molecular weight of 419.77 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).