N-(5-chloropentyl)methanesulfonamide

C6H14ClNO2S — CID 107322792

IUPACN-(5-chloropentyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCl
InChIInChI=1S/C6H14ClNO2S/c1-11(9,10)8-6-4-2-3-5-7/h8H,2-6H2,1H3
InChIKeyHYEIUPFGYYLWSH-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.94
Rot. Bonds6

About N-(5-chloropentyl)methanesulfonamide

N-(5-chloropentyl)methanesulfonamide (PubChem CID 107322792) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N-(5-chloropentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)methanesulfonamide
PubChem CID107322792
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN-(5-chloropentyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCl
InChIInChI=1S/C6H14ClNO2S/c1-11(9,10)8-6-4-2-3-5-7/h8H,2-6H2,1H3
InChIKeyHYEIUPFGYYLWSH-UHFFFAOYSA-N
XLogP0.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.94
H-Bond Donors ≤ 51
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

6-chlorohexylsulfamic acid
CID 139889503
N-(6-chlorohexyl)-2-methylsulfonylethanesulfonamide
CID 107849083
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-(3-aminopropyl)methanesulfonamide
CID 18350602
N-(5-methylhexyl)methanesulfonamide
CID 58970685
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)methanesulfonamide?
The IUPAC name of N-(5-chloropentyl)methanesulfonamide (CID 107322792) is N-(5-chloropentyl)methanesulfonamide.
What is the SMILES notation for N-(5-chloropentyl)methanesulfonamide?
The canonical SMILES for N-(5-chloropentyl)methanesulfonamide is CS(=O)(=O)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)methanesulfonamide?
The InChIKey is HYEIUPFGYYLWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-11(9,10)8-6-4-2-3-5-7/h8H,2-6H2,1H3.
What are the key properties of N-(5-chloropentyl)methanesulfonamide?
N-(5-chloropentyl)methanesulfonamide has a molecular weight of 199.70 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)methanesulfonamide is sourced from PubChem (CID 107322792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).