N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide

C16H15NO3S — CID 135071565

IUPACN-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide
SMILESC#CCC(c1ccccc1)N(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S/c1-2-9-16(14-10-5-3-6-11-14)17(18)21(19,20)15-12-7-4-8-13-15/h1,3-8,10-13,16,18H,9H2
InChIKeyYGXLNCPTRGBTBA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.83
Rot. Bonds5

About N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide

N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide (PubChem CID 135071565) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide
PubChem CID135071565
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC NameN-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide
SMILESC#CCC(c1ccccc1)N(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S/c1-2-9-16(14-10-5-3-6-11-14)17(18)21(19,20)15-12-7-4-8-13-15/h1,3-8,10-13,16,18H,9H2
InChIKeyYGXLNCPTRGBTBA-UHFFFAOYSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide
CID 132851184
N-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 12844430
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
2-phenylpent-4-ynal
CID 14713497
N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide
CID 47808296
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[(E)-4-hydroxybut-2-enyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102266545
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
4-tert-butyl-N-(1,3-diphenylprop-2-ynyl)-N-prop-2-ynylbenzenesulfonamide
CID 176780215
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
benzenesulfonyl(phenyl)methanol
CID 174895803

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide?
The IUPAC name of N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide (CID 135071565) is N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide.
What is the SMILES notation for N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide?
The canonical SMILES for N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide is C#CCC(c1ccccc1)N(O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide?
The InChIKey is YGXLNCPTRGBTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-2-9-16(14-10-5-3-6-11-14)17(18)21(19,20)15-12-7-4-8-13-15/h1,3-8,10-13,16,18H,9H2.
What are the key properties of N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide?
N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(1-phenylbut-3-ynyl)benzenesulfonamide is sourced from PubChem (CID 135071565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).