3-chloro-N-(5-hydroxypentyl)benzenesulfonamide

C11H16ClNO3S — CID 69467627

IUPAC3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c12-10-5-4-6-11(9-10)17(15,16)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2
InChIKeyLKXFVQFITJNVCN-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.78
Rot. Bonds7

About 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide

3-chloro-N-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 69467627) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
PubChem CID69467627
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO3S/c12-10-5-4-6-11(9-10)17(15,16)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2
InChIKeyLKXFVQFITJNVCN-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide (CID 69467627) is 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide is O=S(=O)(NCCCCCO)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is LKXFVQFITJNVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c12-10-5-4-6-11(9-10)17(15,16)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2.
What are the key properties of 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 69467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).