N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide

C14H11F2NO4S — CID 11450245

IUPACN-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C14H11F2NO4S/c1-22(18,19)17-11-5-2-9(3-6-11)10-4-7-12-13(8-10)21-14(15,16)20-12/h2-8,17H,1H3
InChIKeyMYHWTPMPNMQVDI-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.05
Rot. Bonds3

About N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide

N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide (PubChem CID 11450245) has the molecular formula C14H11F2NO4S and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide
PubChem CID11450245
Molecular FormulaC14H11F2NO4S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC NameN-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C14H11F2NO4S/c1-22(18,19)17-11-5-2-9(3-6-11)10-4-7-12-13(8-10)21-14(15,16)20-12/h2-8,17H,1H3
InChIKeyMYHWTPMPNMQVDI-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide (CID 11450245) is N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1.
What is the InChIKey of N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide?
The InChIKey is MYHWTPMPNMQVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4S/c1-22(18,19)17-11-5-2-9(3-6-11)10-4-7-12-13(8-10)21-14(15,16)20-12/h2-8,17H,1H3.
What are the key properties of N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide?
N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide has a molecular weight of 327.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 11450245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).