N-(6-chlorohexyl)-2-methylbenzenesulfonamide

C13H20ClNO2S — CID 107849171

IUPACN-(6-chlorohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCCCCCl
InChIInChI=1S/C13H20ClNO2S/c1-12-8-4-5-9-13(12)18(16,17)15-11-7-3-2-6-10-14/h4-5,8-9,15H,2-3,6-7,10-11H2,1H3
InChIKeyISJSNOVQCPRJFE-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.07
Rot. Bonds8

About N-(6-chlorohexyl)-2-methylbenzenesulfonamide

N-(6-chlorohexyl)-2-methylbenzenesulfonamide (PubChem CID 107849171) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is N-(6-chlorohexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-2-methylbenzenesulfonamide
PubChem CID107849171
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC NameN-(6-chlorohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCCCCCl
InChIInChI=1S/C13H20ClNO2S/c1-12-8-4-5-9-13(12)18(16,17)15-11-7-3-2-6-10-14/h4-5,8-9,15H,2-3,6-7,10-11H2,1H3
InChIKeyISJSNOVQCPRJFE-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 53.07
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

N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2,5-dibromo-N-(6-chlorohexyl)-4-methylbenzenesulfonamide
CID 107849088
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
1-chloropentane;2-methylbenzenesulfonic acid
CID 174931288
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
2-[(2-methylphenyl)sulfonylamino]ethyl 2-methylbenzenesulfonate
CID 86744340

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(6-chlorohexyl)-2-methylbenzenesulfonamide (CID 107849171) is N-(6-chlorohexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-chlorohexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(6-chlorohexyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-2-methylbenzenesulfonamide?
The InChIKey is ISJSNOVQCPRJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-12-8-4-5-9-13(12)18(16,17)15-11-7-3-2-6-10-14/h4-5,8-9,15H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(6-chlorohexyl)-2-methylbenzenesulfonamide?
N-(6-chlorohexyl)-2-methylbenzenesulfonamide has a molecular weight of 289.83 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107849171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).