N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride

C14H18ClN3O2S — CID 120720909

IUPACN-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCNC1)c1cccc2cnccc12
InChIInChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-11-4-6-15-8-11)14-3-1-2-12-10-16-7-5-13(12)14;/h1-3,5,7,10-11,15,17H,4,6,8-9H2;1H
InChIKeyCDMWMNHUGXXBOG-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.54
Rot. Bonds4

About N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride

N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride (PubChem CID 120720909) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
PubChem CID120720909
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCNC1)c1cccc2cnccc12
InChIInChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-11-4-6-15-8-11)14-3-1-2-12-10-16-7-5-13(12)14;/h1-3,5,7,10-11,15,17H,4,6,8-9H2;1H
InChIKeyCDMWMNHUGXXBOG-UHFFFAOYSA-N
XLogP1.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
CID 11818625
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
N-[2-(1,4-diazepan-1-yl)ethyl]isoquinoline-5-sulfonamide
CID 54071162
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(pyrrolidin-3-ylmethyl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120721030
N-(1H-pyrazol-5-ylmethyl)isoquinoline-5-sulfonamide
CID 61285120
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 114696825
N-[2-(2-bromoethoxy)ethyl]isoquinoline-5-sulfonamide
CID 114295991
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
CID 99816349
2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide
CID 142995207

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride (CID 120720909) is N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCNC1)c1cccc2cnccc12.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride?
The InChIKey is CDMWMNHUGXXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-11-4-6-15-8-11)14-3-1-2-12-10-16-7-5-13(12)14;/h1-3,5,7,10-11,15,17H,4,6,8-9H2;1H.
What are the key properties of N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride?
N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120720909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).