N-hex-5-ynyl-2-hydroxybenzenesulfonamide

C12H15NO3S — CID 114159058

IUPACN-hex-5-ynyl-2-hydroxybenzenesulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H15NO3S/c1-2-3-4-7-10-13-17(15,16)12-9-6-5-8-11(12)14/h1,5-6,8-9,13-14H,3-4,7,10H2
InChIKeyCKCUDGHJSPITLW-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.47
Rot. Bonds6

About N-hex-5-ynyl-2-hydroxybenzenesulfonamide

N-hex-5-ynyl-2-hydroxybenzenesulfonamide (PubChem CID 114159058) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-hex-5-ynyl-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-hydroxybenzenesulfonamide
PubChem CID114159058
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-hex-5-ynyl-2-hydroxybenzenesulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H15NO3S/c1-2-3-4-7-10-13-17(15,16)12-9-6-5-8-11(12)14/h1,5-6,8-9,13-14H,3-4,7,10H2
InChIKeyCKCUDGHJSPITLW-UHFFFAOYSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hex-5-ynyl-2-hydroxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-pent-4-ynylbenzenesulfonamide
CID 103698102
3-(hex-5-ynylsulfamoyl)-2-methylbenzoic acid
CID 106208962
2-cyano-3-fluoro-N-hex-5-ynylbenzenesulfonamide
CID 103837000
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
N-hex-5-ynylisoquinoline-5-sulfonamide
CID 103756893
4-(hex-5-ynylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 106209053
5-fluoro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 113255940
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
4-chloro-3-(hex-5-ynylsulfamoyl)benzoic acid
CID 106208979
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-hydroxybenzenesulfonamide?
The IUPAC name of N-hex-5-ynyl-2-hydroxybenzenesulfonamide (CID 114159058) is N-hex-5-ynyl-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-hex-5-ynyl-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-hex-5-ynyl-2-hydroxybenzenesulfonamide is C#CCCCCNS(=O)(=O)c1ccccc1O.
What is the InChIKey of N-hex-5-ynyl-2-hydroxybenzenesulfonamide?
The InChIKey is CKCUDGHJSPITLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-2-3-4-7-10-13-17(15,16)12-9-6-5-8-11(12)14/h1,5-6,8-9,13-14H,3-4,7,10H2.
What are the key properties of N-hex-5-ynyl-2-hydroxybenzenesulfonamide?
N-hex-5-ynyl-2-hydroxybenzenesulfonamide has a molecular weight of 253.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 114159058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).