N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide

C12H9F2NO4S2 — CID 18092899

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1
InChIInChI=1S/C12H9F2NO4S2/c1-7-2-5-11(20-7)21(16,17)15-8-3-4-9-10(6-8)19-12(13,14)18-9/h2-6,15H,1H3
InChIKeyVUOQUEAMTCQHOM-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.18
Rot. Bonds3

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 18092899) has the molecular formula C12H9F2NO4S2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
PubChem CID18092899
Molecular FormulaC12H9F2NO4S2
Molecular Weight333.34 g/mol
Exact Mass332.99
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1
InChIInChI=1S/C12H9F2NO4S2/c1-7-2-5-11(20-7)21(16,17)15-8-3-4-9-10(6-8)19-12(13,14)18-9/h2-6,15H,1H3
InChIKeyVUOQUEAMTCQHOM-UHFFFAOYSA-N
XLogP3.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 8841643
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 8841662
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631
N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide
CID 110728755
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(methylamino)propane-1-sulfonamide
CID 106059443

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide (CID 18092899) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)s1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is VUOQUEAMTCQHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4S2/c1-7-2-5-11(20-7)21(16,17)15-8-3-4-9-10(6-8)19-12(13,14)18-9/h2-6,15H,1H3.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 333.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 18092899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).