N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide

C14H23NO5S — CID 103918378

IUPACN-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCO)c(OC)c1
InChIInChI=1S/C14H23NO5S/c1-19-12-7-8-14(13(11-12)20-2)21(17,18)15-9-5-3-4-6-10-16/h7-8,11,15-16H,3-6,9-10H2,1-2H3
InChIKeyAUGOGPXZDZKGTR-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.53
Rot. Bonds10

About N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide

N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 103918378) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID103918378
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC NameN-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCCCO)c(OC)c1
InChIInChI=1S/C14H23NO5S/c1-19-12-7-8-14(13(11-12)20-2)21(17,18)15-9-5-3-4-6-10-16/h7-8,11,15-16H,3-6,9-10H2,1-2H3
InChIKeyAUGOGPXZDZKGTR-UHFFFAOYSA-N
XLogP1.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 106840483
N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
CID 79469582

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide (CID 103918378) is N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCCCO)c(OC)c1.
What is the InChIKey of N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is AUGOGPXZDZKGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-19-12-7-8-14(13(11-12)20-2)21(17,18)15-9-5-3-4-6-10-16/h7-8,11,15-16H,3-6,9-10H2,1-2H3.
What are the key properties of N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide?
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 103918378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).