N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride

C16H20Cl2N2O3S — CID 119972685

IUPACN-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
SMILESCC(N)CCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1.Cl
InChIInChI=1S/C16H19ClN2O3S.ClH/c1-12(18)10-11-19-23(20,21)14-8-6-13(7-9-14)22-16-5-3-2-4-15(16)17;/h2-9,12,19H,10-11,18H2,1H3;1H
InChIKeyASQZXKBBVISQFH-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.57
Rot. Bonds7

About N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride

N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride (PubChem CID 119972685) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
PubChem CID119972685
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC NameN-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
SMILESCC(N)CCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1.Cl
InChIInChI=1S/C16H19ClN2O3S.ClH/c1-12(18)10-11-19-23(20,21)14-8-6-13(7-9-14)22-16-5-3-2-4-15(16)17;/h2-9,12,19H,10-11,18H2,1H3;1H
InChIKeyASQZXKBBVISQFH-UHFFFAOYSA-N
XLogP3.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
4-(2-aminophenoxy)-N-propylbenzenesulfonamide
CID 61026793
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
N-(3-aminobutyl)-3-chloro-4-methylsulfanylbenzenesulfonamide
CID 120708558
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride (CID 119972685) is N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride is CC(N)CCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
The InChIKey is ASQZXKBBVISQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S.ClH/c1-12(18)10-11-19-23(20,21)14-8-6-13(7-9-14)22-16-5-3-2-4-15(16)17;/h2-9,12,19H,10-11,18H2,1H3;1H.
What are the key properties of N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride?
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride has a molecular weight of 391.32 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119972685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).