2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide

C12H19ClN2O3S — CID 104624494

IUPAC2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-12(2,6-8-18-3)9-15-19(16,17)10-5-4-7-14-11(10)13/h4-5,7,15H,6,8-9H2,1-3H3
InChIKeyHUJNVLVBJHUTQO-UHFFFAOYSA-N
MW306.81 g/mol
LogP2.08
Rot. Bonds7

About 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide

2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide (PubChem CID 104624494) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
PubChem CID104624494
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-12(2,6-8-18-3)9-15-19(16,17)10-5-4-7-14-11(10)13/h4-5,7,15H,6,8-9H2,1-3H3
InChIKeyHUJNVLVBJHUTQO-UHFFFAOYSA-N
XLogP2.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.08
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-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348
2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 104859338
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 115650670
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
CID 61046080
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide (CID 104624494) is 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide is COCCC(C)(C)CNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide?
The InChIKey is HUJNVLVBJHUTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-12(2,6-8-18-3)9-15-19(16,17)10-5-4-7-14-11(10)13/h4-5,7,15H,6,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide?
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide has a molecular weight of 306.81 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 104624494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).