N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide

C13H9F2NO4S — CID 26951283

IUPACN-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1
InChIInChI=1S/C13H9F2NO4S/c14-8-3-9(15)5-11(4-8)21(17,18)16-10-1-2-12-13(6-10)20-7-19-12/h1-6,16H,7H2
InChIKeyKCBHXJORCLXNPN-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.49
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide (PubChem CID 26951283) has the molecular formula C13H9F2NO4S and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
PubChem CID26951283
Molecular FormulaC13H9F2NO4S
Molecular Weight313.28 g/mol
Exact Mass313.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1
InChIInChI=1S/C13H9F2NO4S/c14-8-3-9(15)5-11(4-8)21(17,18)16-10-1-2-12-13(6-10)20-7-19-12/h1-6,16H,7H2
InChIKeyKCBHXJORCLXNPN-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
N-(3,4-dihydro-1H-isochromen-6-yl)-3,5-difluorobenzenesulfonamide
CID 167934200
N-(1,3-benzodioxol-5-yl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757773
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide (CID 26951283) is N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide?
The InChIKey is KCBHXJORCLXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4S/c14-8-3-9(15)5-11(4-8)21(17,18)16-10-1-2-12-13(6-10)20-7-19-12/h1-6,16H,7H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide has a molecular weight of 313.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 26951283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).