4-(4-hydroxybutylsulfonyl)benzenesulfonamide

C10H15NO5S2 — CID 15707348

IUPAC4-(4-hydroxybutylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1
InChIInChI=1S/C10H15NO5S2/c11-18(15,16)10-5-3-9(4-6-10)17(13,14)8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,15,16)
InChIKeyHLBQGOCNVGPIOX-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.12
Rot. Bonds6

About 4-(4-hydroxybutylsulfonyl)benzenesulfonamide

4-(4-hydroxybutylsulfonyl)benzenesulfonamide (PubChem CID 15707348) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(4-hydroxybutylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxybutylsulfonyl)benzenesulfonamide
PubChem CID15707348
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name4-(4-hydroxybutylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1
InChIInChI=1S/C10H15NO5S2/c11-18(15,16)10-5-3-9(4-6-10)17(13,14)8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,15,16)
InChIKeyHLBQGOCNVGPIOX-UHFFFAOYSA-N
XLogP-0.12
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.12
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-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide
CID 4269754
4-(Propylsulfanyl)benzenesulfonamide
CID 71720662
4-(2-Hydroxyethylsulfonyl)benzenesulfonamide
CID 13960348
4-(3-Hydroxypropane-1-sulfonyl)benzene-1-sulfonamide
CID 13960359
4-(2-Hydroxyethylthio)-3-fluorobenzenesulfonamide
CID 13960374
3-Fluoro-4-(2-hydroxyethanesulfonyl)benzene-1-sulfonamide
CID 13960378
2-(Phenylsulfonyl)ethanol
CID 30202
4-[(3-Hydroxypropyl)sulfanyl]benzene-1-sulfonamide
CID 13960354
4-[(3-Hydroxy-3-methylbutyl)thio]benzenesulfonamide
CID 13960356
4-[(5-Hydroxypentyl)sulfanyl]benzene-1-sulfonamide
CID 13960357
4-[(3-Hydroxy-3-methylbutyl)sulfonyl]benzenesulfonamide
CID 13960360
3-Fluoro-4-[(3-hydroxypropyl)sulfanyl]benzene-1-sulfonamide
CID 13960376

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-(4-hydroxybutylsulfonyl)benzenesulfonamide (CID 15707348) is 4-(4-hydroxybutylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxybutylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-hydroxybutylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1.
What is the InChIKey of 4-(4-hydroxybutylsulfonyl)benzenesulfonamide?
The InChIKey is HLBQGOCNVGPIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c11-18(15,16)10-5-3-9(4-6-10)17(13,14)8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,15,16).
What are the key properties of 4-(4-hydroxybutylsulfonyl)benzenesulfonamide?
4-(4-hydroxybutylsulfonyl)benzenesulfonamide has a molecular weight of 293.37 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 15707348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).