6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide

C13H14ClN3O2S — CID 110408505

IUPAC6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCc1cccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c14-13-6-5-12(10-16-13)20(18,19)17-8-2-4-11-3-1-7-15-9-11/h1,3,5-7,9-10,17H,2,4,8H2
InChIKeyUBYYLRAVJHHHME-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.04
Rot. Bonds6

About 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide

6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide (PubChem CID 110408505) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
PubChem CID110408505
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCc1cccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H14ClN3O2S/c14-13-6-5-12(10-16-13)20(18,19)17-8-2-4-11-3-1-7-15-9-11/h1,3,5-7,9-10,17H,2,4,8H2
InChIKeyUBYYLRAVJHHHME-UHFFFAOYSA-N
XLogP2.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661338
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide (CID 110408505) is 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide is O=S(=O)(NCCCc1cccnc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is UBYYLRAVJHHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-13-6-5-12(10-16-13)20(18,19)17-8-2-4-11-3-1-7-15-9-11/h1,3,5-7,9-10,17H,2,4,8H2.
What are the key properties of 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide?
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 110408505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).