N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H20ClN3O2S — CID 106288856

IUPACN-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)C(Cl)CNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H20ClN3O2S/c1-4-9(5-2)10(12)6-14-18(16,17)11-7-13-15-8(11)3/h7,9-10,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyLRQPYOYFZWPQKK-UHFFFAOYSA-N
MW293.82 g/mol
LogP2.04
Rot. Bonds7

About N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106288856) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106288856
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC NameN-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)C(Cl)CNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H20ClN3O2S/c1-4-9(5-2)10(12)6-14-18(16,17)11-7-13-15-8(11)3/h7,9-10,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyLRQPYOYFZWPQKK-UHFFFAOYSA-N
XLogP2.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
3-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 81067072
N-ethoxy-5-methyl-1H-pyrazole-4-sulfonamide
CID 64973901
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
N-[2-(chloromethyl)-2-ethylbutyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106256173
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248522
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 106288856) is N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide is CCC(CC)C(Cl)CNS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LRQPYOYFZWPQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2S/c1-4-9(5-2)10(12)6-14-18(16,17)11-7-13-15-8(11)3/h7,9-10,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 293.82 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106288856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).