2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid

C14H15F2N3O4S — CID 146128021

IUPAC2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCC(C)n1cc(S(=O)(=O)NC(C(=O)O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C14H15F2N3O4S/c1-8(2)19-7-10(6-17-19)24(22,23)18-13(14(20)21)11-5-9(15)3-4-12(11)16/h3-8,13,18H,1-2H3,(H,20,21)
InChIKeyRXULIVSXUJGNAU-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.85
Rot. Bonds6

About 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid

2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid (PubChem CID 146128021) has the molecular formula C14H15F2N3O4S and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid
PubChem CID146128021
Molecular FormulaC14H15F2N3O4S
Molecular Weight359.35 g/mol
Exact Mass359.08
IUPAC Name2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCC(C)n1cc(S(=O)(=O)NC(C(=O)O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C14H15F2N3O4S/c1-8(2)19-7-10(6-17-19)24(22,23)18-13(14(20)21)11-5-9(15)3-4-12(11)16/h3-8,13,18H,1-2H3,(H,20,21)
InChIKeyRXULIVSXUJGNAU-UHFFFAOYSA-N
XLogP1.85
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 71997603
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
N-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 139003889
2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]-3-pyrimidin-2-ylpropanoic acid
CID 167830157
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
CID 95738781
4-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 120660544
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302
(2S)-2-(benzenesulfonamido)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylpropanamide
CID 87040432
2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288364

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid (CID 146128021) is 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid is CC(C)n1cc(S(=O)(=O)NC(C(=O)O)c2cc(F)ccc2F)cn1.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is RXULIVSXUJGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O4S/c1-8(2)19-7-10(6-17-19)24(22,23)18-13(14(20)21)11-5-9(15)3-4-12(11)16/h3-8,13,18H,1-2H3,(H,20,21).
What are the key properties of 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid?
2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 359.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 146128021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).