3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide

C13H17ClN2O3S — CID 103918322

IUPAC3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCCCCO)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c14-13-9-12(6-5-11(13)10-15)20(18,19)16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8H2
InChIKeyUWAHXNRZFPNEQU-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.04
Rot. Bonds8

About 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide

3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide (PubChem CID 103918322) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
PubChem CID103918322
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCCCCO)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c14-13-9-12(6-5-11(13)10-15)20(18,19)16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8H2
InChIKeyUWAHXNRZFPNEQU-UHFFFAOYSA-N
XLogP2.04
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.04
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

3-chloro-4-cyano-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834864
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
3-chloro-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 112703641
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide (CID 103918322) is 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCCCCCO)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
The InChIKey is UWAHXNRZFPNEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-13-9-12(6-5-11(13)10-15)20(18,19)16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8H2.
What are the key properties of 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide?
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide has a molecular weight of 316.81 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide is sourced from PubChem (CID 103918322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).