2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide

C17H16FN5O3S — CID 90329774

IUPAC2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ncc(-c2ncc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1
InChIInChI=1S/C17H16FN5O3S/c18-14-7-11(8-20-16(14)12-9-21-17(19)22-10-12)13-3-1-2-4-15(13)27(25,26)23-5-6-24/h1-4,7-10,23-24H,5-6H2,(H2,19,21,22)
InChIKeyMEDVLOPNRNXMDO-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.20
Rot. Bonds6

About 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide

2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 90329774) has the molecular formula C17H16FN5O3S and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID90329774
Molecular FormulaC17H16FN5O3S
Molecular Weight389.41 g/mol
Exact Mass389.10
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ncc(-c2ncc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1
InChIInChI=1S/C17H16FN5O3S/c18-14-7-11(8-20-16(14)12-9-21-17(19)22-10-12)13-3-1-2-4-15(13)27(25,26)23-5-6-24/h1-4,7-10,23-24H,5-6H2,(H2,19,21,22)
InChIKeyMEDVLOPNRNXMDO-UHFFFAOYSA-N
XLogP1.20
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 90329784
5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine
CID 90329782
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(2-methylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 90313500
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
CID 123453367
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-1,1-dihydroxypropan-2-yl]benzenesulfonamide
CID 137396116
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide
CID 90314285
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
CID 90313950
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 90314566
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 144679080
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
CID 90313870

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 90329774) is 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide is Nc1ncc(-c2ncc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cn1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is MEDVLOPNRNXMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S/c18-14-7-11(8-20-16(14)12-9-21-17(19)22-10-12)13-3-1-2-4-15(13)27(25,26)23-5-6-24/h1-4,7-10,23-24H,5-6H2,(H2,19,21,22).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide?
2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 389.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 90329774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).