2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide

C11H15Cl2NO3S — CID 107271143

IUPAC2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-8(15)4-3-7-14-18(16,17)10-6-2-5-9(12)11(10)13/h2,5-6,8,14-15H,3-4,7H2,1H3
InChIKeyNSJSEUKUKSOYRU-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.43
Rot. Bonds6

About 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide

2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide (PubChem CID 107271143) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
PubChem CID107271143
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-8(15)4-3-7-14-18(16,17)10-6-2-5-9(12)11(10)13/h2,5-6,8,14-15H,3-4,7H2,1H3
InChIKeyNSJSEUKUKSOYRU-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.43
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

2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
3-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120528
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120585
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide (CID 107271143) is 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide is CC(O)CCCNS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide?
The InChIKey is NSJSEUKUKSOYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-8(15)4-3-7-14-18(16,17)10-6-2-5-9(12)11(10)13/h2,5-6,8,14-15H,3-4,7H2,1H3.
What are the key properties of 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide?
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 107271143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).