N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide

C11H12N2O3S — CID 91719163

IUPACN-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide
SMILESCc1ncc2cccc(NS(C)(=O)=O)c2c1O
InChIInChI=1S/C11H12N2O3S/c1-7-11(14)10-8(6-12-7)4-3-5-9(10)13-17(2,15)16/h3-6,13-14H,1-2H3
InChIKeySDIFQRUHTSSOOX-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.62
Rot. Bonds2

About N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide

N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide (PubChem CID 91719163) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide
PubChem CID91719163
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC NameN-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide
SMILESCc1ncc2cccc(NS(C)(=O)=O)c2c1O
InChIInChI=1S/C11H12N2O3S/c1-7-11(14)10-8(6-12-7)4-3-5-9(10)13-17(2,15)16/h3-6,13-14H,1-2H3
InChIKeySDIFQRUHTSSOOX-UHFFFAOYSA-N
XLogP1.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methylisoquinolin-4-ol
CID 172554346
4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
CID 71330282
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564
2-[2-(methanesulfonamido)phenyl]benzoate
CID 171730361
methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737
1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide
CID 135982476
N-[4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-5-yl]methanesulfonamide
CID 91445295
2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-[1-hydroxy-8-(methanesulfonamido)naphthalen-2-yl]acetamide
CID 57096906
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide?
The IUPAC name of N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide (CID 91719163) is N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide?
The canonical SMILES for N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide is Cc1ncc2cccc(NS(C)(=O)=O)c2c1O.
What is the InChIKey of N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide?
The InChIKey is SDIFQRUHTSSOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7-11(14)10-8(6-12-7)4-3-5-9(10)13-17(2,15)16/h3-6,13-14H,1-2H3.
What are the key properties of N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide?
N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide is sourced from PubChem (CID 91719163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).