5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide

C16H16N2O5S — CID 6457694

IUPAC5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1C
InChIInChI=1S/C16H16N2O5S/c1-10-3-5-12(8-13(10)16(19)17-2)24(20,21)18-11-4-6-14-15(7-11)23-9-22-14/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyCXUFRZJFXNHYRL-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.88
Rot. Bonds4

About 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide

5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 6457694) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID6457694
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1C
InChIInChI=1S/C16H16N2O5S/c1-10-3-5-12(8-13(10)16(19)17-2)24(20,21)18-11-4-6-14-15(7-11)23-9-22-14/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyCXUFRZJFXNHYRL-UHFFFAOYSA-N
XLogP1.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(1,3-benzodioxol-5-yl)benzenesulfonamide
CID 2486492
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
CID 6458112
3-((1,3-Dioxaindan-5-yl)sulfamoyl)benzoic acid
CID 2161805
N-(3,4-dimethoxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 1084227
N-(1,3-benzodioxol-5-yl)-3-(diethylsulfamoyl)benzamide
CID 1087778
N-Benzo[1,3]dioxol-5-yl-3-(4-isopropylsulfamoyl-phenyl)-propionamide
CID 1090448
N-(1,3-benzodioxol-5-yl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1090604
N-1,3-benzodioxol-5-yl-4-methyl-3-(1-piperidinylsulfonyl)benzamide
CID 1248970
N-1,3-benzodioxol-5-yl-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide
CID 1248997
N-[2-[4-[(6-propyl-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]ethyl]acetamide
CID 1267737
N-1,3-benzodioxol-5-yl-3-(1-pyrrolidinylsulfonyl)benzamide
CID 1528124
N-1,3-benzodioxol-5-yl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 2200896

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide (CID 6457694) is 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide is CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1C.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is CXUFRZJFXNHYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-10-3-5-12(8-13(10)16(19)17-2)24(20,21)18-11-4-6-14-15(7-11)23-9-22-14/h3-8,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide?
5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 348.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 6457694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).