2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide

C11H17ClN2O2S — CID 43456976

IUPAC2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-3-4-5-9-14(2)17(15,16)10-7-6-8-13-11(10)12/h6-8H,3-5,9H2,1-2H3
InChIKeyAYFMBKHVZIGQFT-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.55
Rot. Bonds6

About 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide

2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide (PubChem CID 43456976) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
PubChem CID43456976
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-3-4-5-9-14(2)17(15,16)10-7-6-8-13-11(10)12/h6-8H,3-5,9H2,1-2H3
InChIKeyAYFMBKHVZIGQFT-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61045189
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
methyl 4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoate
CID 61047612
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61047622
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
CID 103303046
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide (CID 43456976) is 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide is CCCCCN(C)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide?
The InChIKey is AYFMBKHVZIGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-3-4-5-9-14(2)17(15,16)10-7-6-8-13-11(10)12/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide?
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide is sourced from PubChem (CID 43456976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).