N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide

C17H15ClFN5O2S — CID 141292396

IUPACN-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C3CC3)[nH]c2-c2ccncn2)c1F
InChIInChI=1S/C17H15ClFN5O2S/c1-27(25,26)24-13-7-10(18)6-11(14(13)19)15-16(12-4-5-20-8-21-12)23-17(22-15)9-2-3-9/h4-9,24H,2-3H2,1H3,(H,22,23)
InChIKeyQUDFRVUXLPFNAY-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.58
Rot. Bonds5

About N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide

N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide (PubChem CID 141292396) has the molecular formula C17H15ClFN5O2S and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide
PubChem CID141292396
Molecular FormulaC17H15ClFN5O2S
Molecular Weight407.86 g/mol
Exact Mass407.06
IUPAC NameN-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C3CC3)[nH]c2-c2ccncn2)c1F
InChIInChI=1S/C17H15ClFN5O2S/c1-27(25,26)24-13-7-10(18)6-11(14(13)19)15-16(12-4-5-20-8-21-12)23-17(22-15)9-2-3-9/h4-9,24H,2-3H2,1H3,(H,22,23)
InChIKeyQUDFRVUXLPFNAY-UHFFFAOYSA-N
XLogP3.58
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(2-butylpyrimidin-4-yl)-2-cyclopropyl-1H-imidazol-4-yl]-2-chloro-5-fluorophenyl]methanesulfonamide
CID 58164483
methyl N-[(2S)-4-[4-[4-[5-chloro-3-(cyclopropylmethylsulfonylamino)-2-fluorophenyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]butan-2-yl]carbamate
CID 58164531
methyl N-[(2S)-1-[[4-[4-[5-chloro-3-[(3,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 58164508
N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]cyclopropanesulfonamide
CID 141292398
N-[2-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-5-fluorophenyl]methanesulfonamide
CID 141321198
[(2S)-1-[[4-[4-[2-chloro-5-fluoro-3-(methanesulfonamido)phenyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamic acid
CID 90465613
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-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]cyclopropanesulfonamide
CID 141292404
N-[2-chloro-3-[5-[2-(3-cyanobutyl)pyrimidin-4-yl]-2-cyclopropyl-1H-imidazol-4-yl]phenyl]methanesulfonamide
CID 58164509
N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-5-chlorophenyl]-1,1,1-trifluoromethanesulfonamide
CID 141350487
[(2S)-1-[[4-[4-[2-chloro-3-(methanesulfonamido)phenyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamic acid
CID 90465616
N-[5-chloro-3-[4-(2-ethylpyrimidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-2-fluorophenyl]methanesulfonamide
CID 58553830

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide (CID 141292396) is N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C3CC3)[nH]c2-c2ccncn2)c1F.
What is the InChIKey of N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide?
The InChIKey is QUDFRVUXLPFNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2S/c1-27(25,26)24-13-7-10(18)6-11(14(13)19)15-16(12-4-5-20-8-21-12)23-17(22-15)9-2-3-9/h4-9,24H,2-3H2,1H3,(H,22,23).
What are the key properties of N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide?
N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide has a molecular weight of 407.86 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(2-cyclopropyl-5-pyrimidin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 141292396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).