N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride

C12H21ClN2O4S — CID 119972364

IUPACN-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCCC(C)N)cc1OC.Cl
InChIInChI=1S/C12H20N2O4S.ClH/c1-9(13)6-7-14-19(15,16)10-4-5-11(17-2)12(8-10)18-3;/h4-5,8-9,14H,6-7,13H2,1-3H3;1H
InChIKeyNUTGORZHYBBCTJ-UHFFFAOYSA-N
MW324.83 g/mol
LogP1.14
Rot. Bonds7

About N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride

N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride (PubChem CID 119972364) has the molecular formula C12H21ClN2O4S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
PubChem CID119972364
Molecular FormulaC12H21ClN2O4S
Molecular Weight324.83 g/mol
Exact Mass324.09
IUPAC NameN-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCCC(C)N)cc1OC.Cl
InChIInChI=1S/C12H20N2O4S.ClH/c1-9(13)6-7-14-19(15,16)10-4-5-11(17-2)12(8-10)18-3;/h4-5,8-9,14H,6-7,13H2,1-3H3;1H
InChIKeyNUTGORZHYBBCTJ-UHFFFAOYSA-N
XLogP1.14
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687
N-(3-aminobutyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119972633
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659
N-[(2S)-1-aminopropan-2-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 120509148
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride (CID 119972364) is N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NCCC(C)N)cc1OC.Cl.
What is the InChIKey of N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride?
The InChIKey is NUTGORZHYBBCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S.ClH/c1-9(13)6-7-14-19(15,16)10-4-5-11(17-2)12(8-10)18-3;/h4-5,8-9,14H,6-7,13H2,1-3H3;1H.
What are the key properties of N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride?
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119972364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).