1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide

C11H16ClNO3S — CID 18891255

IUPAC1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-16-8-2-7-13-17(14,15)9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyUUTQHJKQXUGSOY-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.80
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide

1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide (PubChem CID 18891255) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
PubChem CID18891255
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-16-8-2-7-13-17(14,15)9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyUUTQHJKQXUGSOY-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.80
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-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
CID 106002081
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
3-(3-methoxypropylsulfamoylmethyl)benzoic acid
CID 43362620
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 46971770
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide (CID 18891255) is 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide is COCCCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
The InChIKey is UUTQHJKQXUGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-16-8-2-7-13-17(14,15)9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 18891255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).