N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide

C14H17FN4O3S — CID 172631243

IUPACN-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cnc(N)nc2)cc(F)c1OC
InChIInChI=1S/C14H17FN4O3S/c1-3-4-23(20,21)19-12-6-9(5-11(15)13(12)22-2)10-7-17-14(16)18-8-10/h5-8,19H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyZDBJLDSFWXRJEX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.03
Rot. Bonds6

About N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide

N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide (PubChem CID 172631243) has the molecular formula C14H17FN4O3S and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
PubChem CID172631243
Molecular FormulaC14H17FN4O3S
Molecular Weight340.38 g/mol
Exact Mass340.10
IUPAC NameN-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cnc(N)nc2)cc(F)c1OC
InChIInChI=1S/C14H17FN4O3S/c1-3-4-23(20,21)19-12-6-9(5-11(15)13(12)22-2)10-7-17-14(16)18-8-10/h5-8,19H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyZDBJLDSFWXRJEX-UHFFFAOYSA-N
XLogP2.03
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-amino-5-(4-piperidin-4-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170409748
N-[5-[2-amino-5-[4-(1-methylpiperidin-4-yl)phenyl]-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170345964
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
N-[5-[2-amino-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170346020
N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
CID 178094039
6-fluoro-2-methoxy-3-(propylsulfonylamino)benzamide
CID 71207999
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide
CID 146306977
N-[3-[4-amino-2-(2-aminopyrimidin-5-yl)-8-methoxyquinazolin-6-yl]-2-fluorophenyl]butane-1-sulfonamide;ethoxyethane
CID 159992667
N-[3-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 146302395
N-(5-amino-2-chloro-3-pyridinyl)propane-1-sulfonamide
CID 174652261
3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide
CID 43246882

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide (CID 172631243) is N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cnc(N)nc2)cc(F)c1OC.
What is the InChIKey of N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
The InChIKey is ZDBJLDSFWXRJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3S/c1-3-4-23(20,21)19-12-6-9(5-11(15)13(12)22-2)10-7-17-14(16)18-8-10/h5-8,19H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide has a molecular weight of 340.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 172631243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).