2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide

C12H11Cl2F2N3O2S — CID 37309076

IUPAC2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2F2N3O2S/c1-18(7-11-17-4-5-19(11)12(15)16)22(20,21)10-6-8(13)2-3-9(10)14/h2-6,12H,7H2,1H3
InChIKeyXJUSGTFPTFNNAX-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.41
Rot. Bonds5

About 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide

2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 37309076) has the molecular formula C12H11Cl2F2N3O2S and a molecular weight of 370.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID37309076
Molecular FormulaC12H11Cl2F2N3O2S
Molecular Weight370.21 g/mol
Exact Mass368.99
IUPAC Name2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1nccn1C(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2F2N3O2S/c1-18(7-11-17-4-5-19(11)12(15)16)22(20,21)10-6-8(13)2-3-9(10)14/h2-6,12H,7H2,1H3
InChIKeyXJUSGTFPTFNNAX-UHFFFAOYSA-N
XLogP3.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide (CID 37309076) is 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide is CN(Cc1nccn1C(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is XJUSGTFPTFNNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F2N3O2S/c1-18(7-11-17-4-5-19(11)12(15)16)22(20,21)10-6-8(13)2-3-9(10)14/h2-6,12H,7H2,1H3.
What are the key properties of 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide?
2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 370.21 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 37309076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).