N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide

C14H22ClNO2S — CID 114008809

IUPACN-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCCCCCl)c1
InChIInChI=1S/C14H22ClNO2S/c1-12-7-8-13(2)14(11-12)19(17,18)16-10-6-4-3-5-9-15/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyGFDXUZVCLOWVDX-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.38
Rot. Bonds8

About N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide

N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 114008809) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
PubChem CID114008809
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC NameN-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCCCCCl)c1
InChIInChI=1S/C14H22ClNO2S/c1-12-7-8-13(2)14(11-12)19(17,18)16-10-6-4-3-5-9-15/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyGFDXUZVCLOWVDX-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.38
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

2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
2,5-dibromo-N-(6-chlorohexyl)-4-methylbenzenesulfonamide
CID 107849088
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-(3-chloro-2,2-dimethylpropyl)-2,5-dimethylbenzenesulfonamide
CID 113295115
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide (CID 114008809) is N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCCCCCCl)c1.
What is the InChIKey of N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is GFDXUZVCLOWVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-12-7-8-13(2)14(11-12)19(17,18)16-10-6-4-3-5-9-15/h7-8,11,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide?
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 303.85 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 114008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).