5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide

C12H8F2N2O3S2 — CID 106267245

IUPAC5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C12H8F2N2O3S2/c13-12(14)19-9-3-1-8(2-4-9)16-21(17,18)11-6-5-10(7-15)20-11/h1-6,12,16H
InChIKeyXJFMJKIIZHTWNC-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.02
Rot. Bonds5

About 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide

5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 106267245) has the molecular formula C12H8F2N2O3S2 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID106267245
Molecular FormulaC12H8F2N2O3S2
Molecular Weight330.34 g/mol
Exact Mass329.99
IUPAC Name5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C12H8F2N2O3S2/c13-12(14)19-9-3-1-8(2-4-9)16-21(17,18)11-6-5-10(7-15)20-11/h1-6,12,16H
InChIKeyXJFMJKIIZHTWNC-UHFFFAOYSA-N
XLogP3.02
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-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

5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
4-amino-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61299189
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 106267245) is 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is XJFMJKIIZHTWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3S2/c13-12(14)19-9-3-1-8(2-4-9)16-21(17,18)11-6-5-10(7-15)20-11/h1-6,12,16H.
What are the key properties of 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 330.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106267245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).