N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H17N3O2S — CID 115901958

IUPACN-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H17N3O2S/c1-5-7-10(6-2)14-17(15,16)11-8(3)12-13-9(11)4/h1,10,14H,6-7H2,2-4H3,(H,12,13)
InChIKeyWNPZRHRXVMKGBZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.11
Rot. Bonds5

About N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 115901958) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID115901958
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESC#CCC(CC)NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H17N3O2S/c1-5-7-10(6-2)14-17(15,16)11-8(3)12-13-9(11)4/h1,10,14H,6-7H2,2-4H3,(H,12,13)
InChIKeyWNPZRHRXVMKGBZ-UHFFFAOYSA-N
XLogP1.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.11
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-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103918614
2,4,6-trifluoro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650481
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61273722
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid
CID 106224085
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
CID 104935418
N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54968744
3,5-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 103914933
N-hex-5-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 115650486
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-hex-5-yn-3-yl-2,5-dimethylbenzenesulfonamide
CID 115650518

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 115901958) is N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is C#CCC(CC)NS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is WNPZRHRXVMKGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-5-7-10(6-2)14-17(15,16)11-8(3)12-13-9(11)4/h1,10,14H,6-7H2,2-4H3,(H,12,13).
What are the key properties of N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115901958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).