4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide

C19H18FN3O4S — CID 122303147

IUPAC4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C
InChIInChI=1S/C19H18FN3O4S/c1-3-26-17-9-8-15(10-13(17)2)28(24,25)23-14-11-21-19(22-12-14)27-18-7-5-4-6-16(18)20/h4-12,23H,3H2,1-2H3
InChIKeyLLGQAMPHAWAVRW-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.92
Rot. Bonds7

About 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide

4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide (PubChem CID 122303147) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
PubChem CID122303147
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C
InChIInChI=1S/C19H18FN3O4S/c1-3-26-17-9-8-15(10-13(17)2)28(24,25)23-14-11-21-19(22-12-14)27-18-7-5-4-6-16(18)20/h4-12,23H,3H2,1-2H3
InChIKeyLLGQAMPHAWAVRW-UHFFFAOYSA-N
XLogP3.92
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
CID 91968436
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303153
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide (CID 122303147) is 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C.
What is the InChIKey of 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide?
The InChIKey is LLGQAMPHAWAVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-3-26-17-9-8-15(10-13(17)2)28(24,25)23-14-11-21-19(22-12-14)27-18-7-5-4-6-16(18)20/h4-12,23H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide?
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide has a molecular weight of 403.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 122303147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).