N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide

C20H22FN5O2S — CID 141292398

IUPACN-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide
SMILESCC(C)(C)c1nc(-c2cccc(NS(=O)(=O)C3CC3)c2F)c(-c2ccncn2)[nH]1
InChIInChI=1S/C20H22FN5O2S/c1-20(2,3)19-24-17(18(25-19)15-9-10-22-11-23-15)13-5-4-6-14(16(13)21)26-29(27,28)12-7-8-12/h4-6,9-12,26H,7-8H2,1-3H3,(H,24,25)
InChIKeyBOPABEDBYDPARZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.87
Rot. Bonds5

About N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide

N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide (PubChem CID 141292398) has the molecular formula C20H22FN5O2S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide
PubChem CID141292398
Molecular FormulaC20H22FN5O2S
Molecular Weight415.49 g/mol
Exact Mass415.15
IUPAC NameN-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide
SMILESCC(C)(C)c1nc(-c2cccc(NS(=O)(=O)C3CC3)c2F)c(-c2ccncn2)[nH]1
InChIInChI=1S/C20H22FN5O2S/c1-20(2,3)19-24-17(18(25-19)15-9-10-22-11-23-15)13-5-4-6-14(16(13)21)26-29(27,28)12-7-8-12/h4-6,9-12,26H,7-8H2,1-3H3,(H,24,25)
InChIKeyBOPABEDBYDPARZ-UHFFFAOYSA-N
XLogP3.87
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide
CID 141292404
N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide
CID 141292396
N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]-1,1,1-trifluoromethanesulfonamide
CID 141350487
N-[3-[2-tert-butyl-5-[2-[(1-methylsulfinylpiperidin-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]cyclopropanesulfonamide
CID 176961382
methyl N-[(2S)-4-[4-[2-cyclopropyl-4-[2-fluoro-3-(methanesulfonamido)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]butan-2-yl]carbamate
CID 58164415
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(2-piperidin-4-ylpropan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;hydrochloride
CID 178178745
N-[3-[2-tert-butyl-5-[2-[[(3R)-pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 172570452
N-(6-fluoro-2-pyridinyl)cyclopropanesulfonamide
CID 104821673
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 70652006
N-(2-tert-butylphenyl)pyrrolidine-3-sulfonamide
CID 65418123
N-[3-[2-[1-[1-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidin-4-yl]-5-pyrimidin-4-yl-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 172569991
N-[3-[2-[1-[1-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidin-4-yl]-5-pyrimidin-4-yl-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 178178917

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide (CID 141292398) is N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide is CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)C3CC3)c2F)c(-c2ccncn2)[nH]1.
What is the InChIKey of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide?
The InChIKey is BOPABEDBYDPARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2S/c1-20(2,3)19-24-17(18(25-19)15-9-10-22-11-23-15)13-5-4-6-14(16(13)21)26-29(27,28)12-7-8-12/h4-6,9-12,26H,7-8H2,1-3H3,(H,24,25).
What are the key properties of N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide?
N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 141292398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).