N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C18H17ClN4O2S — CID 44590978

IUPACN-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-13-16(19)18(23-17(22-13)15-9-5-6-10-20-15)21-11-12-26(24,25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,22,23)
InChIKeyLKCZMYAWWHFWHN-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44590978) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44590978
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-13-16(19)18(23-17(22-13)15-9-5-6-10-20-15)21-11-12-26(24,25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,22,23)
InChIKeyLKCZMYAWWHFWHN-UHFFFAOYSA-N
XLogP3.39
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44590978) is N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCCS(=O)(=O)c2ccccc2)c1Cl.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is LKCZMYAWWHFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-13-16(19)18(23-17(22-13)15-9-5-6-10-20-15)21-11-12-26(24,25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,22,23).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 388.88 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44590978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).