N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

C16H14N2O6S — CID 2171048

IUPACN-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H14N2O6S/c1-10(19)18-25(21,22)13-5-3-12(4-6-13)17-16(20)11-2-7-14-15(8-11)24-9-23-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySVVLLLQUOWFEKD-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.49
Rot. Bonds4

About N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 2171048) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID2171048
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H14N2O6S/c1-10(19)18-25(21,22)13-5-3-12(4-6-13)17-16(20)11-2-7-14-15(8-11)24-9-23-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySVVLLLQUOWFEKD-UHFFFAOYSA-N
XLogP1.49
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
Methylenedioxybenzoyl ethyl PABA
CID 785868
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 742896
N-(2-Methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 647869
[2,3-Diacetoxy-5-[[4-(phenylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 45269341
N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 1092904
N-(2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 669568

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 2171048) is N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SVVLLLQUOWFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-10(19)18-25(21,22)13-5-3-12(4-6-13)17-16(20)11-2-7-14-15(8-11)24-9-23-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2171048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).