N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide

C15H21NO3S — CID 62094388

IUPACN-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C15H21NO3S/c1-3-8-14(4-2)16-20(18,19)15-11-6-5-9-13(15)10-7-12-17/h5-6,9,11,14,16-17H,3-4,8,12H2,1-2H3
InChIKeyIANCHAQOTLFKHF-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.89
Rot. Bonds6

About N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide

N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide (PubChem CID 62094388) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
PubChem CID62094388
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C15H21NO3S/c1-3-8-14(4-2)16-20(18,19)15-11-6-5-9-13(15)10-7-12-17/h5-6,9,11,14,16-17H,3-4,8,12H2,1-2H3
InChIKeyIANCHAQOTLFKHF-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103
2-(3-hydroxyprop-1-ynyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048095
2-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217870
N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
2-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 54926762
2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
CID 60824642
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63963966
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The IUPAC name of N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide (CID 62094388) is N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide is CCCC(CC)NS(=O)(=O)c1ccccc1C#CCO.
What is the InChIKey of N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The InChIKey is IANCHAQOTLFKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-8-14(4-2)16-20(18,19)15-11-6-5-9-13(15)10-7-12-17/h5-6,9,11,14,16-17H,3-4,8,12H2,1-2H3.
What are the key properties of N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 62094388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).