1-(2-chlorophenyl)-N-heptylmethanesulfonamide

C14H22ClNO2S — CID 17257569

IUPAC1-(2-chlorophenyl)-N-heptylmethanesulfonamide
SMILESCCCCCCCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-2-3-4-5-8-11-16-19(17,18)12-13-9-6-7-10-14(13)15/h6-7,9-10,16H,2-5,8,11-12H2,1H3
InChIKeyUXEVQGINODDAFX-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.73
Rot. Bonds9

About 1-(2-chlorophenyl)-N-heptylmethanesulfonamide

1-(2-chlorophenyl)-N-heptylmethanesulfonamide (PubChem CID 17257569) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-heptylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-heptylmethanesulfonamide
PubChem CID17257569
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name1-(2-chlorophenyl)-N-heptylmethanesulfonamide
SMILESCCCCCCCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2S/c1-2-3-4-5-8-11-16-19(17,18)12-13-9-6-7-10-14(13)15/h6-7,9-10,16H,2-5,8,11-12H2,1H3
InChIKeyUXEVQGINODDAFX-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-N-heptylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
CID 110288266
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014801
1-(2-chlorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014800

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-heptylmethanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-heptylmethanesulfonamide (CID 17257569) is 1-(2-chlorophenyl)-N-heptylmethanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-heptylmethanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-heptylmethanesulfonamide is CCCCCCCNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-heptylmethanesulfonamide?
The InChIKey is UXEVQGINODDAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-2-3-4-5-8-11-16-19(17,18)12-13-9-6-7-10-14(13)15/h6-7,9-10,16H,2-5,8,11-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-heptylmethanesulfonamide?
1-(2-chlorophenyl)-N-heptylmethanesulfonamide has a molecular weight of 303.85 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-heptylmethanesulfonamide is sourced from PubChem (CID 17257569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).