N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H18N2O5S — CID 9141418

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C17H18N2O5S/c1-10-7-13(25(18,21)22)9-14(11(10)2)19-17(20)12-3-4-15-16(8-12)24-6-5-23-15/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyFGMSAVWMHBXNKO-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.97
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 9141418) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID9141418
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C17H18N2O5S/c1-10-7-13(25(18,21)22)9-14(11(10)2)19-17(20)12-3-4-15-16(8-12)24-6-5-23-15/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyFGMSAVWMHBXNKO-UHFFFAOYSA-N
XLogP1.97
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 167928666
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55791528
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671045
N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 47093191
N-(4-bromo-2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5346241
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687413
4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
CID 9141581
ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9257612
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 9141418) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc3c(c2)OCCO3)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is FGMSAVWMHBXNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-7-13(25(18,21)22)9-14(11(10)2)19-17(20)12-3-4-15-16(8-12)24-6-5-23-15/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 9141418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).