N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide

C17H19F2N3O4S2 — CID 73002310

IUPACN-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide
SMILESCC(CO)Oc1cc(NS(=O)(=O)C2CC2)nc(SCc2cccc(F)c2F)n1
InChIInChI=1S/C17H19F2N3O4S2/c1-10(8-23)26-15-7-14(22-28(24,25)12-5-6-12)20-17(21-15)27-9-11-3-2-4-13(18)16(11)19/h2-4,7,10,12,23H,5-6,8-9H2,1H3,(H,20,21,22)
InChIKeyFCVYGORXJJZDRI-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.71
Rot. Bonds9

About N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide

N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide (PubChem CID 73002310) has the molecular formula C17H19F2N3O4S2 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide
PubChem CID73002310
Molecular FormulaC17H19F2N3O4S2
Molecular Weight431.49 g/mol
Exact Mass431.08
IUPAC NameN-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide
SMILESCC(CO)Oc1cc(NS(=O)(=O)C2CC2)nc(SCc2cccc(F)c2F)n1
InChIInChI=1S/C17H19F2N3O4S2/c1-10(8-23)26-15-7-14(22-28(24,25)12-5-6-12)20-17(21-15)27-9-11-3-2-4-13(18)16(11)19/h2-4,7,10,12,23H,5-6,8-9H2,1H3,(H,20,21,22)
InChIKeyFCVYGORXJJZDRI-UHFFFAOYSA-N
XLogP2.71
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide 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

N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R)-1-hydroxypropan-2-yl]oxypyrimidin-4-yl]-4-ethylpiperazine-1-sulfonamide
CID 59558846
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide
CID 130425138
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3R)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]morpholine-4-sulfonamide
CID 59558763
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3-hydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide
CID 142687589
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-methoxypyrimidin-4-yl]-4-hydroxypiperidine-1-sulfonamide
CID 59558845
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide
CID 59558826
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1,3-dihydroxy-2-methylpropan-2-yl)oxypyrimidin-4-yl]azetidine-1-sulfonamide
CID 11677275
2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropylcarbamic acid
CID 87856735
4-[[2-[(2,3-difluorophenyl)methylsulfanyl]-6-methoxypyrimidin-4-yl]sulfamoyl]piperazine-1-carboxylic acid
CID 123230295
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-methoxypyrimidin-4-yl]-3-morpholin-4-ylazetidine-1-sulfonamide
CID 59558807
(2R)-2-[6-[[5-(tert-butylcarbamoyl)furan-2-yl]sulfonylamino]-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoic acid
CID 68769186
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]azetidine-1-sulfonamide
CID 59558842

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide (CID 73002310) is N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide is CC(CO)Oc1cc(NS(=O)(=O)C2CC2)nc(SCc2cccc(F)c2F)n1.
What is the InChIKey of N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide?
The InChIKey is FCVYGORXJJZDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4S2/c1-10(8-23)26-15-7-14(22-28(24,25)12-5-6-12)20-17(21-15)27-9-11-3-2-4-13(18)16(11)19/h2-4,7,10,12,23H,5-6,8-9H2,1H3,(H,20,21,22).
What are the key properties of N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide?
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide has a molecular weight of 431.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-yloxy)pyrimidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 73002310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).