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

C17H27ClN2O3S — CID 119987288

IUPACN-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCNC1CCCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H26N2O3S.ClH/c20-23(21,16-7-8-17-14(13-16)9-12-22-17)19-11-10-18-15-5-3-1-2-4-6-15;/h7-8,13,15,18-19H,1-6,9-12H2;1H
InChIKeySTFMIMZHCVJFTA-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.63
Rot. Bonds6

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

N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (PubChem CID 119987288) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
PubChem CID119987288
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCNC1CCCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H26N2O3S.ClH/c20-23(21,16-7-8-17-14(13-16)9-12-22-17)19-11-10-18-15-5-3-1-2-4-6-15;/h7-8,13,15,18-19H,1-6,9-12H2;1H
InChIKeySTFMIMZHCVJFTA-UHFFFAOYSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.63
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-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
N-[2-(cycloheptylamino)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119987279
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 121139495
N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138042840
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride (CID 119987288) is N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is Cl.O=S(=O)(NCCNC1CCCCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
The InChIKey is STFMIMZHCVJFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c20-23(21,16-7-8-17-14(13-16)9-12-22-17)19-11-10-18-15-5-3-1-2-4-6-15;/h7-8,13,15,18-19H,1-6,9-12H2;1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119987288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).