6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide

C15H18ClN3O2S — CID 26945524

IUPAC6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C15H18ClN3O2S/c1-19(13-6-3-2-4-7-13)11-5-10-18-22(20,21)14-8-9-15(16)17-12-14/h2-4,6-9,12,18H,5,10-11H2,1H3
InChIKeySHKPYJOEMLOOMD-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.54
Rot. Bonds7

About 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide

6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide (PubChem CID 26945524) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
PubChem CID26945524
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C15H18ClN3O2S/c1-19(13-6-3-2-4-7-13)11-5-10-18-22(20,21)14-8-9-15(16)17-12-14/h2-4,6-9,12,18H,5,10-11H2,1H3
InChIKeySHKPYJOEMLOOMD-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.54
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

6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 100540791
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide
CID 3842166
N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565588
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide (CID 26945524) is 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide is CN(CCCNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1.
What is the InChIKey of 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide?
The InChIKey is SHKPYJOEMLOOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-19(13-6-3-2-4-7-13)11-5-10-18-22(20,21)14-8-9-15(16)17-12-14/h2-4,6-9,12,18H,5,10-11H2,1H3.
What are the key properties of 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide?
6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide has a molecular weight of 339.85 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 26945524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).