2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide

C12H13FN4O2S — CID 62156754

IUPAC2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(N)nc1)c1ccccc1F
InChIInChI=1S/C12H13FN4O2S/c1-8(10-4-2-3-5-11(10)13)17-20(18,19)9-6-15-12(14)16-7-9/h2-8,17H,1H3,(H2,14,15,16)
InChIKeyDXTWMQYZBNIWNA-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.24
Rot. Bonds4

About 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide

2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide (PubChem CID 62156754) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
PubChem CID62156754
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC Name2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(N)nc1)c1ccccc1F
InChIInChI=1S/C12H13FN4O2S/c1-8(10-4-2-3-5-11(10)13)17-20(18,19)9-6-15-12(14)16-7-9/h2-8,17H,1H3,(H2,14,15,16)
InChIKeyDXTWMQYZBNIWNA-UHFFFAOYSA-N
XLogP1.24
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
CID 61107588
6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 115602456
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
2-amino-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62150881
1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide
CID 107858602
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 62157966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide (CID 62156754) is 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide is CC(NS(=O)(=O)c1cnc(N)nc1)c1ccccc1F.
What is the InChIKey of 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is DXTWMQYZBNIWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c1-8(10-4-2-3-5-11(10)13)17-20(18,19)9-6-15-12(14)16-7-9/h2-8,17H,1H3,(H2,14,15,16).
What are the key properties of 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide?
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 296.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 62156754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).