1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride

C14H21ClN4O2S — CID 120716213

IUPAC1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H20N4O2S.ClH/c1-2-8-15-9-10-17-21(19,20)14-11-16-18(12-14)13-6-4-3-5-7-13;/h3-7,11-12,15,17H,2,8-10H2,1H3;1H
InChIKeyLNTKGXMXSUGITJ-UHFFFAOYSA-N
MW344.87 g/mol
LogP1.57
Rot. Bonds8

About 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride

1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120716213) has the molecular formula C14H21ClN4O2S and a molecular weight of 344.87 g/mol. Its IUPAC name is 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
PubChem CID120716213
Molecular FormulaC14H21ClN4O2S
Molecular Weight344.87 g/mol
Exact Mass344.11
IUPAC Name1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H20N4O2S.ClH/c1-2-8-15-9-10-17-21(19,20)14-11-16-18(12-14)13-6-4-3-5-7-13;/h3-7,11-12,15,17H,2,8-10H2,1H3;1H
InChIKeyLNTKGXMXSUGITJ-UHFFFAOYSA-N
XLogP1.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119979713
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 154805217
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
CID 119987043
N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093676
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715836

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride (CID 120716213) is 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is LNTKGXMXSUGITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S.ClH/c1-2-8-15-9-10-17-21(19,20)14-11-16-18(12-14)13-6-4-3-5-7-13;/h3-7,11-12,15,17H,2,8-10H2,1H3;1H.
What are the key properties of 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride?
1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 344.87 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120716213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).