3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide

C13H21ClN2O3S — CID 107843473

IUPAC3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H21ClN2O3S/c1-10-12(15)8-11(14)9-13(10)20(18,19)16-6-4-2-3-5-7-17/h8-9,16-17H,2-7,15H2,1H3
InChIKeyNZKBUPKXSIWQFN-UHFFFAOYSA-N
MW320.84 g/mol
LogP2.06
Rot. Bonds8

About 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide

3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide (PubChem CID 107843473) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
PubChem CID107843473
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H21ClN2O3S/c1-10-12(15)8-11(14)9-13(10)20(18,19)16-6-4-2-3-5-7-17/h8-9,16-17H,2-7,15H2,1H3
InChIKeyNZKBUPKXSIWQFN-UHFFFAOYSA-N
XLogP2.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-amino-5-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208427
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
3-amino-5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide
CID 106139696
3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide
CID 106333439
3-[2-[(3-amino-5-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 114380073
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide (CID 107843473) is 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)NCCCCCCO.
What is the InChIKey of 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
The InChIKey is NZKBUPKXSIWQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-10-12(15)8-11(14)9-13(10)20(18,19)16-6-4-2-3-5-7-17/h8-9,16-17H,2-7,15H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide has a molecular weight of 320.84 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107843473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).