5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide

C13H12ClF2NO3S2 — CID 78786879

IUPAC5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF2NO3S2/c1-17(22(18,19)12-7-6-11(14)21-12)8-9-2-4-10(5-3-9)20-13(15)16/h2-7,13H,8H2,1H3
InChIKeyNMDGJQZNUDNWOM-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.82
Rot. Bonds6

About 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide

5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 78786879) has the molecular formula C13H12ClF2NO3S2 and a molecular weight of 367.83 g/mol. Its IUPAC name is 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide
PubChem CID78786879
Molecular FormulaC13H12ClF2NO3S2
Molecular Weight367.83 g/mol
Exact Mass366.99
IUPAC Name5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClF2NO3S2/c1-17(22(18,19)12-7-6-11(14)21-12)8-9-2-4-10(5-3-9)20-13(15)16/h2-7,13H,8H2,1H3
InChIKeyNMDGJQZNUDNWOM-UHFFFAOYSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide (CID 78786879) is 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide is CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is NMDGJQZNUDNWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NO3S2/c1-17(22(18,19)12-7-6-11(14)21-12)8-9-2-4-10(5-3-9)20-13(15)16/h2-7,13H,8H2,1H3.
What are the key properties of 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide?
5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 367.83 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 78786879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).