2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide

C19H23ClN4O4S — CID 166401949

IUPAC2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(=O)NC2)c(NC[C@@H](O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H23ClN4O4S/c1-12-2-8-17(29(27,28)24-15-7-9-18(26)21-10-15)19(23-12)22-11-16(25)13-3-5-14(20)6-4-13/h2-6,8,15-16,24-25H,7,9-11H2,1H3,(H,21,26)(H,22,23)/t15?,16-/m1/s1
InChIKeyMFZSVBIZEQZYNL-OEMAIJDKSA-N
MW438.94 g/mol
LogP1.75
Rot. Bonds7

About 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide

2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide (PubChem CID 166401949) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
PubChem CID166401949
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(=O)NC2)c(NC[C@@H](O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H23ClN4O4S/c1-12-2-8-17(29(27,28)24-15-7-9-18(26)21-10-15)19(23-12)22-11-16(25)13-3-5-14(20)6-4-13/h2-6,8,15-16,24-25H,7,9-11H2,1H3,(H,21,26)(H,22,23)/t15?,16-/m1/s1
InChIKeyMFZSVBIZEQZYNL-OEMAIJDKSA-N
XLogP1.75
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide (CID 166401949) is 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(=O)NC2)c(NC[C@@H](O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The InChIKey is MFZSVBIZEQZYNL-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c1-12-2-8-17(29(27,28)24-15-7-9-18(26)21-10-15)19(23-12)22-11-16(25)13-3-5-14(20)6-4-13/h2-6,8,15-16,24-25H,7,9-11H2,1H3,(H,21,26)(H,22,23)/t15?,16-/m1/s1.
What are the key properties of 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide?
2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide has a molecular weight of 438.94 g/mol, XLogP of 1.75, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-6-methyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 166401949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).