5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide

C10H11ClN2O3S — CID 43501464

IUPAC5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCCCO
InChIInChI=1S/C10H11ClN2O3S/c11-9-3-2-8(7-12)10(6-9)17(15,16)13-4-1-5-14/h2-3,6,13-14H,1,4-5H2
InChIKeyALOWSHWMBVMCMA-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.87
Rot. Bonds5

About 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide

5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 43501464) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID43501464
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCCCO
InChIInChI=1S/C10H11ClN2O3S/c11-9-3-2-8(7-12)10(6-9)17(15,16)13-4-1-5-14/h2-3,6,13-14H,1,4-5H2
InChIKeyALOWSHWMBVMCMA-UHFFFAOYSA-N
XLogP0.87
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.87
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

6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888
5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139
5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362906
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
5-chloro-2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833845
5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199
5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126720

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide (CID 43501464) is 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCCCO.
What is the InChIKey of 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is ALOWSHWMBVMCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-9-3-2-8(7-12)10(6-9)17(15,16)13-4-1-5-14/h2-3,6,13-14H,1,4-5H2.
What are the key properties of 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide?
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 274.73 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43501464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).