N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide

C13H13NO4S — CID 130392131

IUPACN-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
SMILESCOc1ccc2cc(NS(C)(=O)=O)ccc2c1C=O
InChIInChI=1S/C13H13NO4S/c1-18-13-6-3-9-7-10(14-19(2,16)17)4-5-11(9)12(13)8-15/h3-8,14H,1-2H3
InChIKeyCKVRESVRYYYTKY-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.03
Rot. Bonds4

About N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide

N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide (PubChem CID 130392131) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
PubChem CID130392131
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC NameN-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
SMILESCOc1ccc2cc(NS(C)(=O)=O)ccc2c1C=O
InChIInChI=1S/C13H13NO4S/c1-18-13-6-3-9-7-10(14-19(2,16)17)4-5-11(9)12(13)8-15/h3-8,14H,1-2H3
InChIKeyCKVRESVRYYYTKY-UHFFFAOYSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
2,7-dimethoxy-6-methylsulfonylnaphthalene-1-carbaldehyde
CID 130391944
2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
CID 145071221
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
(E)-3-(5-formyl-6-methoxynaphthalen-2-yl)prop-2-enoic acid
CID 155369741
N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide
CID 167961408
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
6-methoxy-2-methylsulfonylnaphthalene-1-carbaldehyde
CID 141001617
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide?
The IUPAC name of N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide (CID 130392131) is N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide is COc1ccc2cc(NS(C)(=O)=O)ccc2c1C=O.
What is the InChIKey of N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide?
The InChIKey is CKVRESVRYYYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-18-13-6-3-9-7-10(14-19(2,16)17)4-5-11(9)12(13)8-15/h3-8,14H,1-2H3.
What are the key properties of N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide?
N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide is sourced from PubChem (CID 130392131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).