N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C10H18ClN3O3S — CID 106245504

IUPACN-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H18ClN3O3S/c1-7-10(8(2)14-13-7)18(15,16)12-5-4-9(11)6-17-3/h9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyRHUOGACXPLELEC-UHFFFAOYSA-N
MW295.79 g/mol
LogP0.95
Rot. Bonds7

About N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 106245504) has the molecular formula C10H18ClN3O3S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID106245504
Molecular FormulaC10H18ClN3O3S
Molecular Weight295.79 g/mol
Exact Mass295.08
IUPAC NameN-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H18ClN3O3S/c1-7-10(8(2)14-13-7)18(15,16)12-5-4-9(11)6-17-3/h9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyRHUOGACXPLELEC-UHFFFAOYSA-N
XLogP0.95
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide 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

N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914904
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901933
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901976
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574816
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 106245504) is N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COCC(Cl)CCNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RHUOGACXPLELEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O3S/c1-7-10(8(2)14-13-7)18(15,16)12-5-4-9(11)6-17-3/h9,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 295.79 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106245504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).