N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide

C13H15F2N3O2S — CID 71981424

IUPACN-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)N(C)c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C13H15F2N3O2S/c1-8(2)13-16-7-12(17-13)21(19,20)18(3)11-6-9(14)4-5-10(11)15/h4-8H,1-3H3,(H,16,17)
InChIKeyAAWSPPYLOJGURS-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.64
Rot. Bonds4

About N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide

N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 71981424) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID71981424
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)N(C)c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C13H15F2N3O2S/c1-8(2)13-16-7-12(17-13)21(19,20)18(3)11-6-9(14)4-5-10(11)15/h4-8H,1-3H3,(H,16,17)
InChIKeyAAWSPPYLOJGURS-UHFFFAOYSA-N
XLogP2.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 71981424) is N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide is CC(C)c1ncc(S(=O)(=O)N(C)c2cc(F)ccc2F)[nH]1.
What is the InChIKey of N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is AAWSPPYLOJGURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-8(2)13-16-7-12(17-13)21(19,20)18(3)11-6-9(14)4-5-10(11)15/h4-8H,1-3H3,(H,16,17).
What are the key properties of N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 71981424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).