N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide

C12H12ClN3O2S — CID 114052143

IUPACN-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1cccnc1Cl
InChIInChI=1S/C12H12ClN3O2S/c13-12-11(2-1-6-15-12)16-19(17,18)9-5-10-3-7-14-8-4-10/h1-4,6-8,16H,5,9H2
InChIKeyMQAXHOBECODBIZ-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.11
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide

N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 114052143) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID114052143
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1cccnc1Cl
InChIInChI=1S/C12H12ClN3O2S/c13-12-11(2-1-6-15-12)16-19(17,18)9-5-10-3-7-14-8-4-10/h1-4,6-8,16H,5,9H2
InChIKeyMQAXHOBECODBIZ-UHFFFAOYSA-N
XLogP2.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 2738376
N-(2-chloro-5-pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 87570551
6-chloro-N-(3-pyridinylmethyl)-3-pyridinesulfonamide
CID 822442
N-[3-(3-Chlorophenylamino)-4-pyridinyl]methanesulfonamide
CID 44475845
N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide
CID 155537016
n-(Pyridin-3-yl)pyridine-3-sulfonamide
CID 221243
N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 87570433
Biphenyl-4-sulfonic acid (2-chloro-pyridin-3-yl)-amide
CID 1087769
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
4-chloro-N-pyridin-3-ylbenzenesulfonamide
CID 835318
N-[3-(4-chlorophenylamino)-4-pyridinyl]methanesulfonamide
CID 44475846

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide (CID 114052143) is N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide is O=S(=O)(CCc1ccncc1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is MQAXHOBECODBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-12-11(2-1-6-15-12)16-19(17,18)9-5-10-3-7-14-8-4-10/h1-4,6-8,16H,5,9H2.
What are the key properties of N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide?
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 114052143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).