2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C18H19N5O3S — CID 123140905

IUPAC2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C18H19N5O3S/c1-12(11-24)23-27(25,26)17-5-3-2-4-15(17)13-6-7-16(20-8-13)14-9-21-18(19)22-10-14/h2-10,12,23-24H,11H2,1H3,(H2,19,21,22)
InChIKeySRWCOHGUDXQDHS-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.45
Rot. Bonds6

About 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 123140905) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID123140905
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1
InChIInChI=1S/C18H19N5O3S/c1-12(11-24)23-27(25,26)17-5-3-2-4-15(17)13-6-7-16(20-8-13)14-9-21-18(19)22-10-14/h2-10,12,23-24H,11H2,1H3,(H2,19,21,22)
InChIKeySRWCOHGUDXQDHS-UHFFFAOYSA-N
XLogP1.45
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-ethylbenzenesulfonamide
CID 90314285
2-[6-(2-aminopyrimidin-5-yl)-5-fluoro-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 90329784
2-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylamino]propanoic acid
CID 123453367
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65427987
2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-1,1-dihydroxypropan-2-yl]benzenesulfonamide
CID 137396116
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
5-[2-[6-(2-methylpyrimidin-5-yl)-3-pyridinyl]phenyl]pyrimidin-2-amine
CID 118603090
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
CID 39977591
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 123140905) is 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is SRWCOHGUDXQDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12(11-24)23-27(25,26)17-5-3-2-4-15(17)13-6-7-16(20-8-13)14-9-21-18(19)22-10-14/h2-10,12,23-24H,11H2,1H3,(H2,19,21,22).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.45, 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)-3-pyridinyl]-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 123140905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).