2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide

C12H12ClN3O2S — CID 54895920

IUPAC2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ccnc(Cl)c1)c1ccncc1
InChIInChI=1S/C12H12ClN3O2S/c1-9(10-2-5-14-6-3-10)16-19(17,18)11-4-7-15-12(13)8-11/h2-9,16H,1H3
InChIKeyBYQQGTFATHBPLD-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.17
Rot. Bonds4

About 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide

2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide (PubChem CID 54895920) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
PubChem CID54895920
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ccnc(Cl)c1)c1ccncc1
InChIInChI=1S/C12H12ClN3O2S/c1-9(10-2-5-14-6-3-10)16-19(17,18)11-4-7-15-12(13)8-11/h2-9,16H,1H3
InChIKeyBYQQGTFATHBPLD-UHFFFAOYSA-N
XLogP2.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.17
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

2-hydrazinyl-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 61003919
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398
4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 17452020
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
4-(2-chloroethyl)-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 107858759
5-chloro-1-methyl-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-sulfonamide
CID 35305898
2-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridine-4-sulfonamide
CID 61053448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide (CID 54895920) is 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide is CC(NS(=O)(=O)c1ccnc(Cl)c1)c1ccncc1.
What is the InChIKey of 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide?
The InChIKey is BYQQGTFATHBPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-9(10-2-5-14-6-3-10)16-19(17,18)11-4-7-15-12(13)8-11/h2-9,16H,1H3.
What are the key properties of 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide?
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 54895920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).