2-amino-6-chloro-N-octylbenzenesulfonamide

C14H23ClN2O2S — CID 115565998

IUPAC2-amino-6-chloro-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H23ClN2O2S/c1-2-3-4-5-6-7-11-17-20(18,19)14-12(15)9-8-10-13(14)16/h8-10,17H,2-7,11,16H2,1H3
InChIKeySHEFGLRLFQUMNC-UHFFFAOYSA-N
MW318.87 g/mol
LogP3.56
Rot. Bonds9

About 2-amino-6-chloro-N-octylbenzenesulfonamide

2-amino-6-chloro-N-octylbenzenesulfonamide (PubChem CID 115565998) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-amino-6-chloro-N-octylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-octylbenzenesulfonamide
PubChem CID115565998
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name2-amino-6-chloro-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H23ClN2O2S/c1-2-3-4-5-6-7-11-17-20(18,19)14-12(15)9-8-10-13(14)16/h8-10,17H,2-7,11,16H2,1H3
InChIKeySHEFGLRLFQUMNC-UHFFFAOYSA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103460070
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
2-amino-6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62977744
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
4-amino-3-chloro-N-pentylbenzenesulfonamide
CID 115329349

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-octylbenzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-octylbenzenesulfonamide (CID 115565998) is 2-amino-6-chloro-N-octylbenzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-octylbenzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-octylbenzenesulfonamide is CCCCCCCCNS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-octylbenzenesulfonamide?
The InChIKey is SHEFGLRLFQUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-2-3-4-5-6-7-11-17-20(18,19)14-12(15)9-8-10-13(14)16/h8-10,17H,2-7,11,16H2,1H3.
What are the key properties of 2-amino-6-chloro-N-octylbenzenesulfonamide?
2-amino-6-chloro-N-octylbenzenesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-octylbenzenesulfonamide is sourced from PubChem (CID 115565998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).