2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide

C13H18N2O3S — CID 103918399

IUPAC2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H18N2O3S/c14-11-12-7-3-4-8-13(12)19(17,18)15-9-5-1-2-6-10-16/h3-4,7-8,15-16H,1-2,5-6,9-10H2
InChIKeyOCQPVFFFEQRTAS-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.39
Rot. Bonds8

About 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide

2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide (PubChem CID 103918399) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
PubChem CID103918399
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C13H18N2O3S/c14-11-12-7-3-4-8-13(12)19(17,18)15-9-5-1-2-6-10-16/h3-4,7-8,15-16H,1-2,5-6,9-10H2
InChIKeyOCQPVFFFEQRTAS-UHFFFAOYSA-N
XLogP1.39
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-azidopropyl)-2-cyanobenzenesulfonamide
CID 61344901
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312082
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide (CID 103918399) is 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCCCCCCO.
What is the InChIKey of 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
The InChIKey is OCQPVFFFEQRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-11-12-7-3-4-8-13(12)19(17,18)15-9-5-1-2-6-10-16/h3-4,7-8,15-16H,1-2,5-6,9-10H2.
What are the key properties of 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide is sourced from PubChem (CID 103918399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).