N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide

C9H12F2N2O3S2 — CID 115612484

IUPACN-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C9H12F2N2O3S2/c1-5-7(18(12,15)16)3-6(17-5)9(14)13(2)4-8(10)11/h3,8H,4H2,1-2H3,(H2,12,15,16)
InChIKeyDBJUNGQGORDBDD-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.04
Rot. Bonds4

About N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide

N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 115612484) has the molecular formula C9H12F2N2O3S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID115612484
Molecular FormulaC9H12F2N2O3S2
Molecular Weight298.34 g/mol
Exact Mass298.03
IUPAC NameN-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C9H12F2N2O3S2/c1-5-7(18(12,15)16)3-6(17-5)9(14)13(2)4-8(10)11/h3,8H,4H2,1-2H3,(H2,12,15,16)
InChIKeyDBJUNGQGORDBDD-UHFFFAOYSA-N
XLogP1.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
CID 112689674
N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689667
N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide
CID 112676812
5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 115994133
N-cyclopropyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689679
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451
N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693
N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612426
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
N-(cyclopropylmethyl)-5-methyl-N-propyl-4-sulfamoylthiophene-2-carboxamide
CID 115612410
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
CID 99719134

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide (CID 115612484) is N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)N(C)CC(F)F)cc1S(N)(=O)=O.
What is the InChIKey of N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is DBJUNGQGORDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S2/c1-5-7(18(12,15)16)3-6(17-5)9(14)13(2)4-8(10)11/h3,8H,4H2,1-2H3,(H2,12,15,16).
What are the key properties of N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide?
N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 115612484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).