N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide

C14H18ClNO4S — CID 58870445

IUPACN-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)CCCCCl)cc2c1OCC2
InChIInChI=1S/C14H18ClNO4S/c1-21(18,19)16-12-9-11(13(17)4-2-3-6-15)8-10-5-7-20-14(10)12/h8-9,16H,2-7H2,1H3
InChIKeyZSJMWIDZTWRKND-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.58
Rot. Bonds7

About N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide

N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide (PubChem CID 58870445) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide
PubChem CID58870445
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC NameN-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)CCCCCl)cc2c1OCC2
InChIInChI=1S/C14H18ClNO4S/c1-21(18,19)16-12-9-11(13(17)4-2-3-6-15)8-10-5-7-20-14(10)12/h8-9,16H,2-7H2,1H3
InChIKeyZSJMWIDZTWRKND-UHFFFAOYSA-N
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 58737227
5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 58870431
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69217676
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 174474749
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
N-methyl-5-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69400630
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-methylphenyl)ethanone
CID 115796449
5-chloro-1-(11-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentan-1-one
CID 142260984
2-[2-(trifluoromethoxy)phenyl]ethyl N-[5-(7-acetamido-2,3-dihydro-1-benzofuran-5-yl)-5-oxopentyl]-N-tert-butylcarbamate
CID 91347000

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide?
The IUPAC name of N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide (CID 58870445) is N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide?
The canonical SMILES for N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(=O)CCCCCl)cc2c1OCC2.
What is the InChIKey of N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide?
The InChIKey is ZSJMWIDZTWRKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-21(18,19)16-12-9-11(13(17)4-2-3-6-15)8-10-5-7-20-14(10)12/h8-9,16H,2-7H2,1H3.
What are the key properties of N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide?
N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide has a molecular weight of 331.82 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide is sourced from PubChem (CID 58870445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).