5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride

C11H19ClN2O3S — CID 22157092

IUPAC5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(CCCCN)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C11H18N2O3S.ClH/c1-16-10-6-5-9(4-2-3-7-12)8-11(10)17(13,14)15;/h5-6,8H,2-4,7,12H2,1H3,(H2,13,14,15);1H
InChIKeyJKYXTTZVBRKYDW-UHFFFAOYSA-N
MW294.80 g/mol
LogP1.05
Rot. Bonds6

About 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride

5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 22157092) has the molecular formula C11H19ClN2O3S and a molecular weight of 294.80 g/mol. Its IUPAC name is 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID22157092
Molecular FormulaC11H19ClN2O3S
Molecular Weight294.80 g/mol
Exact Mass294.08
IUPAC Name5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(CCCCN)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C11H18N2O3S.ClH/c1-16-10-6-5-9(4-2-3-7-12)8-11(10)17(13,14)15;/h5-6,8H,2-4,7,12H2,1H3,(H2,13,14,15);1H
InChIKeyJKYXTTZVBRKYDW-UHFFFAOYSA-N
XLogP1.05
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 51.05
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

5-(3-aminopropyl)-2-methoxybenzenesulfonic acid
CID 170867430
sodium 5-(3-aminopropyl)-2-methoxybenzenesulfonate
CID 170867429
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
4-[3-(difluoromethyl)-4-methoxyphenyl]butan-1-amine
CID 117330457
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide
CID 70458167
4-(4-methyl-3-methylsulfonylphenyl)butan-1-amine
CID 117355936
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 18539168
4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 55788529

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride (CID 22157092) is 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride is COc1ccc(CCCCN)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is JKYXTTZVBRKYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S.ClH/c1-16-10-6-5-9(4-2-3-7-12)8-11(10)17(13,14)15;/h5-6,8H,2-4,7,12H2,1H3,(H2,13,14,15);1H.
What are the key properties of 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride?
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 294.80 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 22157092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).