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

C8H14ClN3O3S — CID 106245564

IUPACN-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O3S/c1-15-6-7(9)2-5-11-16(13,14)8-3-4-10-12-8/h3-4,7,11H,2,5-6H2,1H3,(H,10,12)
InChIKeyHSCYULOKLUOGFW-UHFFFAOYSA-N
MW267.74 g/mol
LogP0.33
Rot. Bonds7

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

N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106245564) has the molecular formula C8H14ClN3O3S and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
PubChem CID106245564
Molecular FormulaC8H14ClN3O3S
Molecular Weight267.74 g/mol
Exact Mass267.04
IUPAC NameN-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14ClN3O3S/c1-15-6-7(9)2-5-11-16(13,14)8-3-4-10-12-8/h3-4,7,11H,2,5-6H2,1H3,(H,10,12)
InChIKeyHSCYULOKLUOGFW-UHFFFAOYSA-N
XLogP0.33
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(3-chloro-4-methoxybutyl)-4-methoxybenzenesulfonamide
CID 106245506
N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106245504
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434
2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
CID 114163434

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide (CID 106245564) is N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide is COCC(Cl)CCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HSCYULOKLUOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3S/c1-15-6-7(9)2-5-11-16(13,14)8-3-4-10-12-8/h3-4,7,11H,2,5-6H2,1H3,(H,10,12).
What are the key properties of N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide?
N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 267.74 g/mol, XLogP of 0.33, 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)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106245564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).