N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide

C13H20ClNO2S — CID 107206464

IUPACN-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCCCCCl)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H20ClNO2S/c1-15(11-7-3-6-10-14)18(16,17)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyIISJWTYJHAZOIS-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.86
Rot. Bonds8

About N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide

N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 107206464) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID107206464
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC NameN-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCCCCCl)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H20ClNO2S/c1-15(11-7-3-6-10-14)18(16,17)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyIISJWTYJHAZOIS-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-[benzylsulfonyl(pentyl)amino]sulfanyl-N-pentyl-1-phenylmethanesulfonamide
CID 21404304
N-[11-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]undecyl]-N-methyl-1-phenylmethanesulfonamide
CID 15285894
4-[benzylsulfonyl(methyl)amino]benzenecarbothioamide
CID 62971224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide (CID 107206464) is N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide is CN(CCCCCCl)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is IISJWTYJHAZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-15(11-7-3-6-10-14)18(16,17)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide?
N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 289.83 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 107206464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).