2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide

C14H14ClN3O2S — CID 61042552

IUPAC2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
SMILESO=S(=O)(c1ccnc(Cl)c1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H14ClN3O2S/c15-14-9-13(6-8-17-14)21(19,20)18(12-4-5-12)10-11-3-1-2-7-16-11/h1-3,6-9,12H,4-5,10H2
InChIKeySDQKPQWAECPFLA-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.48
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide

2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide (PubChem CID 61042552) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
PubChem CID61042552
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
SMILESO=S(=O)(c1ccnc(Cl)c1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H14ClN3O2S/c15-14-9-13(6-8-17-14)21(19,20)18(12-4-5-12)10-11-3-1-2-7-16-11/h1-3,6-9,12H,4-5,10H2
InChIKeySDQKPQWAECPFLA-UHFFFAOYSA-N
XLogP2.48
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide (CID 61042552) is 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide is O=S(=O)(c1ccnc(Cl)c1)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is SDQKPQWAECPFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-14-9-13(6-8-17-14)21(19,20)18(12-4-5-12)10-11-3-1-2-7-16-11/h1-3,6-9,12H,4-5,10H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide?
2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 323.81 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61042552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).