5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide

C14H16ClN3O2S — CID 97242203

IUPAC5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cncc(Cl)c1)c1ccncc1
InChIInChI=1S/C14H16ClN3O2S/c1-10(2)14(11-3-5-16-6-4-11)18-21(19,20)13-7-12(15)8-17-9-13/h3-10,14,18H,1-2H3/t14-/m0/s1
InChIKeyMAONKRQPCVUWHC-AWEZNQCLSA-N
MW325.82 g/mol
LogP2.81
Rot. Bonds5

About 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide

5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide (PubChem CID 97242203) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
PubChem CID97242203
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cncc(Cl)c1)c1ccncc1
InChIInChI=1S/C14H16ClN3O2S/c1-10(2)14(11-3-5-16-6-4-11)18-21(19,20)13-7-12(15)8-17-9-13/h3-10,14,18H,1-2H3/t14-/m0/s1
InChIKeyMAONKRQPCVUWHC-AWEZNQCLSA-N
XLogP2.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide (CID 97242203) is 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide is CC(C)[C@H](NS(=O)(=O)c1cncc(Cl)c1)c1ccncc1.
What is the InChIKey of 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
The InChIKey is MAONKRQPCVUWHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-10(2)14(11-3-5-16-6-4-11)18-21(19,20)13-7-12(15)8-17-9-13/h3-10,14,18H,1-2H3/t14-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide?
5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 97242203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).