N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

C12H19ClN2O3S — CID 119965027

IUPACN-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-13-6-2-7-14-18(15,16)11-3-4-12-10(9-11)5-8-17-12;/h3-4,9,13-14H,2,5-8H2,1H3;1H
InChIKeyAIQUNJMCQHQQRC-UHFFFAOYSA-N
MW306.81 g/mol
LogP0.93
Rot. Bonds6

About N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride

N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (PubChem CID 119965027) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
PubChem CID119965027
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC NameN-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-13-6-2-7-14-18(15,16)11-3-4-12-10(9-11)5-8-17-12;/h3-4,9,13-14H,2,5-8H2,1H3;1H
InChIKeyAIQUNJMCQHQQRC-UHFFFAOYSA-N
XLogP0.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 50.93
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-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119987288
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072939
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine
CID 116853389
N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138044685
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 121018551
N-[3-(methylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119964840

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (CID 119965027) is N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1ccc2c(c1)CCO2.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The InChIKey is AIQUNJMCQHQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-13-6-2-7-14-18(15,16)11-3-4-12-10(9-11)5-8-17-12;/h3-4,9,13-14H,2,5-8H2,1H3;1H.
What are the key properties of N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119965027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).