N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide

C17H20N4O2S — CID 25048684

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)15-10-16(21(4)19-15)20-24(22,23)14-7-5-6-12-11-18-9-8-13(12)14/h5-11,20H,1-4H3
InChIKeyJZKSYKHQPSIXAD-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.07
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide (PubChem CID 25048684) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide
PubChem CID25048684
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide
SMILESCn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C17H20N4O2S/c1-17(2,3)15-10-16(21(4)19-15)20-24(22,23)14-7-5-6-12-11-18-9-8-13(12)14/h5-11,20H,1-4H3
InChIKeyJZKSYKHQPSIXAD-UHFFFAOYSA-N
XLogP3.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
CID 5220322
N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
CID 104821384
N-(4-tert-butyl-2-chlorophenyl)isoquinoline-5-sulfonamide
CID 3817645
N-(3,4,5-trifluorophenyl)isoquinoline-5-sulfonamide
CID 25049723
N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
CID 25040448
2-(isoquinolin-5-ylsulfonylamino)-2-methylpropanoic acid
CID 61263233
N-(2-bromo-4-propan-2-ylphenyl)isoquinoline-5-sulfonamide
CID 3573164
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
(2R)-2-(isoquinolin-5-ylsulfonylamino)-3-methylbutanoic acid
CID 79009316
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide
CID 25047609
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide (CID 25048684) is N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide is Cn1nc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide?
The InChIKey is JZKSYKHQPSIXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-17(2,3)15-10-16(21(4)19-15)20-24(22,23)14-7-5-6-12-11-18-9-8-13(12)14/h5-11,20H,1-4H3.
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 25048684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).