N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H15NO5S — CID 167929542

IUPACN-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15NO5S/c1-11-2-5-13(6-3-11)23(19,20)17-16(18)12-4-7-14-15(10-12)22-9-8-21-14/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyHLHIFGSDSOUPCM-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.88
Rot. Bonds3

About N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 167929542) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID167929542
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC NameN-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15NO5S/c1-11-2-5-13(6-3-11)23(19,20)17-16(18)12-4-7-14-15(10-12)22-9-8-21-14/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyHLHIFGSDSOUPCM-UHFFFAOYSA-N
XLogP1.88
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 5094296
N-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169373081
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylethanone
CID 2738487
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
N-[1-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide
CID 55455213
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
CID 75403568
N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9400978
2-[(4-methylphenyl)sulfonylamino]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 8002918
3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide
CID 71892401
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 167929542) is N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is HLHIFGSDSOUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-11-2-5-13(6-3-11)23(19,20)17-16(18)12-4-7-14-15(10-12)22-9-8-21-14/h2-7,10H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 167929542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).