1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide

C11H16ClNO3S — CID 4317850

IUPAC1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-16-8-4-7-13-17(14,15)9-10-5-2-3-6-11(10)12/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeyGAHYYBSPLOVYPK-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.80
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide

1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide (PubChem CID 4317850) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
PubChem CID4317850
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
SMILESCOCCCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-16-8-4-7-13-17(14,15)9-10-5-2-3-6-11(10)12/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeyGAHYYBSPLOVYPK-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

1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
CID 110288266
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014801
1-(2-chlorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014800
1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide
CID 16890761
1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide
CID 110603018

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide (CID 4317850) is 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide is COCCCNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
The InChIKey is GAHYYBSPLOVYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-16-8-4-7-13-17(14,15)9-10-5-2-3-6-11(10)12/h2-3,5-6,13H,4,7-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide?
1-(2-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-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide is sourced from PubChem (CID 4317850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).