N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride

C12H25ClN4O2S — CID 120712297

IUPACN-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride
SMILESCCn1nccc1S(=O)(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C12H24N4O2S.ClH/c1-5-16-12(6-8-14-16)19(17,18)15(4)9-7-11(13)10(2)3;/h6,8,10-11H,5,7,9,13H2,1-4H3;1H
InChIKeyGVEUYHRVFBOQKI-UHFFFAOYSA-N
MW324.88 g/mol
LogP1.32
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride (PubChem CID 120712297) has the molecular formula C12H25ClN4O2S and a molecular weight of 324.88 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride
PubChem CID120712297
Molecular FormulaC12H25ClN4O2S
Molecular Weight324.88 g/mol
Exact Mass324.14
IUPAC NameN-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride
SMILESCCn1nccc1S(=O)(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C12H24N4O2S.ClH/c1-5-16-12(6-8-14-16)19(17,18)15(4)9-7-11(13)10(2)3;/h6,8,10-11H,5,7,9,13H2,1-4H3;1H
InChIKeyGVEUYHRVFBOQKI-UHFFFAOYSA-N
XLogP1.32
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N,N-dimethylpyrazole-3-sulfonamide
CID 130703242
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
CID 119992308
N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992025
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119992236

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride (CID 120712297) is N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride is CCn1nccc1S(=O)(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride?
The InChIKey is GVEUYHRVFBOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S.ClH/c1-5-16-12(6-8-14-16)19(17,18)15(4)9-7-11(13)10(2)3;/h6,8,10-11H,5,7,9,13H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120712297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).