N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide

C18H17NO4S — CID 86868851

IUPACN-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)c1
InChIInChI=1S/C18H17NO4S/c1-23-16-8-4-7-15(11-16)18(20)19-24(21,22)17-10-9-13-5-2-3-6-14(13)12-17/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyDAGQPTRANLJCNX-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.74
Rot. Bonds4

About N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide

N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide (PubChem CID 86868851) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide
PubChem CID86868851
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)c1
InChIInChI=1S/C18H17NO4S/c1-23-16-8-4-7-15(11-16)18(20)19-24(21,22)17-10-9-13-5-2-3-6-14(13)12-17/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyDAGQPTRANLJCNX-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide
CID 60602780
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-methoxybenzamide
CID 7601105
N-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-3-methoxybenzamide
CID 71882520
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
N-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23099491

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide?
The IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide (CID 86868851) is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide.
What is the SMILES notation for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide?
The canonical SMILES for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide is COc1cccc(C(=O)NS(=O)(=O)C2=Cc3ccccc3CC2)c1.
What is the InChIKey of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide?
The InChIKey is DAGQPTRANLJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-23-16-8-4-7-15(11-16)18(20)19-24(21,22)17-10-9-13-5-2-3-6-14(13)12-17/h2-8,11-12H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide?
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide has a molecular weight of 343.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide is sourced from PubChem (CID 86868851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).