N-pyrrolidin-3-ylisoquinoline-5-sulfonamide

C13H15N3O2S — CID 11334904

IUPACN-pyrrolidin-3-ylisoquinoline-5-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cccc2cnccc12
InChIInChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2
InChIKeyDPOHKNPOBZVTBK-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.88
Rot. Bonds3

About N-pyrrolidin-3-ylisoquinoline-5-sulfonamide

N-pyrrolidin-3-ylisoquinoline-5-sulfonamide (PubChem CID 11334904) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-pyrrolidin-3-ylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylisoquinoline-5-sulfonamide
PubChem CID11334904
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-pyrrolidin-3-ylisoquinoline-5-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cccc2cnccc12
InChIInChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2
InChIKeyDPOHKNPOBZVTBK-UHFFFAOYSA-N
XLogP0.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylisoquinoline-5-sulfonamide?
The IUPAC name of N-pyrrolidin-3-ylisoquinoline-5-sulfonamide (CID 11334904) is N-pyrrolidin-3-ylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-pyrrolidin-3-ylisoquinoline-5-sulfonamide?
The canonical SMILES for N-pyrrolidin-3-ylisoquinoline-5-sulfonamide is O=S(=O)(NC1CCNC1)c1cccc2cnccc12.
What is the InChIKey of N-pyrrolidin-3-ylisoquinoline-5-sulfonamide?
The InChIKey is DPOHKNPOBZVTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2.
What are the key properties of N-pyrrolidin-3-ylisoquinoline-5-sulfonamide?
N-pyrrolidin-3-ylisoquinoline-5-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylisoquinoline-5-sulfonamide is sourced from PubChem (CID 11334904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).