N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide

C18H17N3O4S — CID 52788633

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nccc3ccccc23)cc1NS(C)(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-25-16-8-7-13(11-15(16)21-26(2,23)24)20-18(22)17-14-6-4-3-5-12(14)9-10-19-17/h3-11,21H,1-2H3,(H,20,22)
InChIKeySZOJRARRTDWIND-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.87
Rot. Bonds5

About N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide (PubChem CID 52788633) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
PubChem CID52788633
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nccc3ccccc23)cc1NS(C)(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-25-16-8-7-13(11-15(16)21-26(2,23)24)20-18(22)17-14-6-4-3-5-12(14)9-10-19-17/h3-11,21H,1-2H3,(H,20,22)
InChIKeySZOJRARRTDWIND-UHFFFAOYSA-N
XLogP2.87
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
CID 24673279
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 24673316
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
CID 55827287
N-[4-(4-methylphenyl)sulfonylphenyl]isoquinoline-1-carboxamide
CID 177399589
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide (CID 52788633) is N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide is COc1ccc(NC(=O)c2nccc3ccccc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide?
The InChIKey is SZOJRARRTDWIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-16-8-7-13(11-15(16)21-26(2,23)24)20-18(22)17-14-6-4-3-5-12(14)9-10-19-17/h3-11,21H,1-2H3,(H,20,22).
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 52788633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).