N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide

C14H16F3N3O2S — CID 75441699

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1nccn1C(F)F)c1ccccc1F
InChIInChI=1S/C14H16F3N3O2S/c1-10(2)23(21,22)20(12-6-4-3-5-11(12)15)9-13-18-7-8-19(13)14(16)17/h3-8,10,14H,9H2,1-2H3
InChIKeyNCQRPYWNRLJXCB-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.16
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide (PubChem CID 75441699) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide
PubChem CID75441699
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(Cc1nccn1C(F)F)c1ccccc1F
InChIInChI=1S/C14H16F3N3O2S/c1-10(2)23(21,22)20(12-6-4-3-5-11(12)15)9-13-18-7-8-19(13)14(16)17/h3-8,10,14H,9H2,1-2H3
InChIKeyNCQRPYWNRLJXCB-UHFFFAOYSA-N
XLogP3.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide (CID 75441699) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(Cc1nccn1C(F)F)c1ccccc1F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide?
The InChIKey is NCQRPYWNRLJXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-10(2)23(21,22)20(12-6-4-3-5-11(12)15)9-13-18-7-8-19(13)14(16)17/h3-8,10,14H,9H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide has a molecular weight of 347.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 75441699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).