N-propylisoquinoline-5-sulfonamide

C12H14N2O2S — CID 3008297

IUPACN-propylisoquinoline-5-sulfonamide
SMILESCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C12H14N2O2S/c1-2-7-14-17(15,16)12-5-3-4-10-9-13-8-6-11(10)12/h3-6,8-9,14H,2,7H2,1H3
InChIKeyTZHLVQFMSKGBJA-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.92
Rot. Bonds4

About N-propylisoquinoline-5-sulfonamide

N-propylisoquinoline-5-sulfonamide (PubChem CID 3008297) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-propylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-propylisoquinoline-5-sulfonamide
PubChem CID3008297
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-propylisoquinoline-5-sulfonamide
SMILESCCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C12H14N2O2S/c1-2-7-14-17(15,16)12-5-3-4-10-9-13-8-6-11(10)12/h3-6,8-9,14H,2,7H2,1H3
InChIKeyTZHLVQFMSKGBJA-UHFFFAOYSA-N
XLogP1.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fasudil
CID 3547
1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
protein kinase inhibitor H89
CID 449241
N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
Fasudil Hydrochloride
CID 163751
Ripasudil
CID 9863672
N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
CID 129236
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
H-1152
CID 448043
8-Quinolinesulfonamide
CID 94464
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
CID 3546

Frequently Asked Questions

What is the IUPAC name of N-propylisoquinoline-5-sulfonamide?
The IUPAC name of N-propylisoquinoline-5-sulfonamide (CID 3008297) is N-propylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-propylisoquinoline-5-sulfonamide?
The canonical SMILES for N-propylisoquinoline-5-sulfonamide is CCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-propylisoquinoline-5-sulfonamide?
The InChIKey is TZHLVQFMSKGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-7-14-17(15,16)12-5-3-4-10-9-13-8-6-11(10)12/h3-6,8-9,14H,2,7H2,1H3.
What are the key properties of N-propylisoquinoline-5-sulfonamide?
N-propylisoquinoline-5-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylisoquinoline-5-sulfonamide is sourced from PubChem (CID 3008297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).