N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide

C18H18ClNO3S — CID 67930404

IUPACN-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccc2occc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c19-16-5-7-17(8-6-16)24(21,22)20-11-2-1-3-14-4-9-18-15(13-14)10-12-23-18/h4-10,12-13,20H,1-3,11H2
InChIKeyAKEFZHUCTVXRTJ-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.39
Rot. Bonds7

About N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide

N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide (PubChem CID 67930404) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide
PubChem CID67930404
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC NameN-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccc2occc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c19-16-5-7-17(8-6-16)24(21,22)20-11-2-1-3-14-4-9-18-15(13-14)10-12-23-18/h4-10,12-13,20H,1-3,11H2
InChIKeyAKEFZHUCTVXRTJ-UHFFFAOYSA-N
XLogP4.39
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chlorophenyl)butyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357510
ethyl 5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-benzofuran-2-carboxylate
CID 14476291
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-[4-(4-chlorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110357511
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
CID 18504968
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide (CID 67930404) is N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide is O=S(=O)(NCCCCc1ccc2occc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide?
The InChIKey is AKEFZHUCTVXRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-16-5-7-17(8-6-16)24(21,22)20-11-2-1-3-14-4-9-18-15(13-14)10-12-23-18/h4-10,12-13,20H,1-3,11H2.
What are the key properties of N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide?
N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide has a molecular weight of 363.87 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-5-yl)butyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 67930404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).