N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide

C16H16N2O5S — CID 56795776

IUPACN-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-23-10-11-2-4-13(5-3-11)16(20)18-24(21,22)14-8-6-12(7-9-14)15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyUQKQURQVQYBTAG-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.05
Rot. Bonds6

About N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide

N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide (PubChem CID 56795776) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide
PubChem CID56795776
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-23-10-11-2-4-13(5-3-11)16(20)18-24(21,22)14-8-6-12(7-9-14)15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyUQKQURQVQYBTAG-UHFFFAOYSA-N
XLogP1.05
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
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4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
CID 71894451
4-(methylsulfamoyl)benzamide
CID 43241290
N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
CID 49202399
2-[(4-carbamoylphenyl)sulfonylcarbamoyl]benzoic acid
CID 66586698
N-[4-(2-bromoethyl)phenyl]sulfonyl-4-tert-butylbenzamide
CID 18977847
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide
CID 55975287
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide (CID 56795776) is N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide?
The InChIKey is UQKQURQVQYBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-10-11-2-4-13(5-3-11)16(20)18-24(21,22)14-8-6-12(7-9-14)15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide?
N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide has a molecular weight of 348.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide is sourced from PubChem (CID 56795776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).